(2-aminoquinazolin-7-yl)boronic acid;7-(2-aminoquinazolin-7-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine;7-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;tris(1-ethoxypropane);4-oxa-7-azaspiro[2.5]octane

C80H95BBrCl3N26O7 — CID 159012171

IUPAC(2-aminoquinazolin-7-yl)boronic acid;7-(2-aminoquinazolin-7-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine;7-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;tris(1-ethoxypropane);4-oxa-7-azaspiro[2.5]octane
SMILESC1COC2(CC2)CN1.CCCOCC.CCCOCC.CCCOCC.Nc1nc(Cl)nc2nc(Cl)ccc12.Nc1ncc2ccc(-c3ccc4c(N)nc(Cl)nc4n3)cc2n1.Nc1ncc2ccc(-c3ccc4c(N)nc(N5CCOC6(CC6)C5)nc4n3)cc2n1.Nc1ncc2ccc(B(O)O)cc2n1.Nc1ncc2ccc(Br)cc2n1
InChIInChI=1S/C21H20N8O.C15H10ClN7.C8H8BN3O2.C8H6BrN3.C7H4Cl2N4.C6H11NO.3C5H12O/c22-17-14-3-4-15(12-1-2-13-10-24-19(23)26-16(13)9-12)25-18(14)28-20(27-17)29-7-8-30-21(11-29)5-6-21;16-14-22-12(17)9-3-4-10(20-13(9)23-14)7-1-2-8-6-19-15(18)21-11(8)5-7;10-8-11-4-5-1-2-6(9(13)14)3-7(5)12-8;9-6-2-1-5-4-11-8(10)12-7(5)3-6;8-4-2-1-3-5(10)12-7(9)13-6(3)11-4;1-2-6(1)5-7-3-4-8-6;3*1-3-5-6-4-2/h1-4,9-10H,5-8,11H2,(H2,23,24,26)(H2,22,25,27,28);1-6H,(H2,18,19,21)(H2,17,20,22,23);1-4,13-14H,(H2,10,11,12);1-4H,(H2,10,11,12);1-2H,(H2,10,11,12,13);7H,1-5H2;3*3-5H2,1-2H3
InChIKeyJSQBGTLIWUZYGG-UHFFFAOYSA-N
MW1729.89 g/mol
LogP11.84
Rot. Bonds13

About (2-aminoquinazolin-7-yl)boronic acid;7-(2-aminoquinazolin-7-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine;7-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;tris(1-ethoxypropane);4-oxa-7-azaspiro[2.5]octane

(2-aminoquinazolin-7-yl)boronic acid;7-(2-aminoquinazolin-7-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine;7-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;tris(1-ethoxypropane);4-oxa-7-azaspiro[2.5]octane (PubChem CID 159012171) has the molecular formula C80H95BBrCl3N26O7 and a molecular weight of 1729.89 g/mol. Its IUPAC name is (2-aminoquinazolin-7-yl)boronic acid;7-(2-aminoquinazolin-7-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine;7-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;tris(1-ethoxypropane);4-oxa-7-azaspiro[2.5]octane.

Molecular Properties

Compound Name(2-aminoquinazolin-7-yl)boronic acid;7-(2-aminoquinazolin-7-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine;7-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;tris(1-ethoxypropane);4-oxa-7-azaspiro[2.5]octane
PubChem CID159012171
Molecular FormulaC80H95BBrCl3N26O7
Molecular Weight1729.89 g/mol
Exact Mass1726.62
IUPAC Name(2-aminoquinazolin-7-yl)boronic acid;7-(2-aminoquinazolin-7-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine;7-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;tris(1-ethoxypropane);4-oxa-7-azaspiro[2.5]octane
SMILESC1COC2(CC2)CN1.CCCOCC.CCCOCC.CCCOCC.Nc1nc(Cl)nc2nc(Cl)ccc12.Nc1ncc2ccc(-c3ccc4c(N)nc(Cl)nc4n3)cc2n1.Nc1ncc2ccc(-c3ccc4c(N)nc(N5CCOC6(CC6)C5)nc4n3)cc2n1.Nc1ncc2ccc(B(O)O)cc2n1.Nc1ncc2ccc(Br)cc2n1
InChIInChI=1S/C21H20N8O.C15H10ClN7.C8H8BN3O2.C8H6BrN3.C7H4Cl2N4.C6H11NO.3C5H12O/c22-17-14-3-4-15(12-1-2-13-10-24-19(23)26-16(13)9-12)25-18(14)28-20(27-17)29-7-8-30-21(11-29)5-6-21;16-14-22-12(17)9-3-4-10(20-13(9)23-14)7-1-2-8-6-19-15(18)21-11(8)5-7;10-8-11-4-5-1-2-6(9(13)14)3-7(5)12-8;9-6-2-1-5-4-11-8(10)12-7(5)3-6;8-4-2-1-3-5(10)12-7(9)13-6(3)11-4;1-2-6(1)5-7-3-4-8-6;3*1-3-5-6-4-2/h1-4,9-10H,5-8,11H2,(H2,23,24,26)(H2,22,25,27,28);1-6H,(H2,18,19,21)(H2,17,20,22,23);1-4,13-14H,(H2,10,11,12);1-4H,(H2,10,11,12);1-2H,(H2,10,11,12,13);7H,1-5H2;3*3-5H2,1-2H3
InChIKeyJSQBGTLIWUZYGG-UHFFFAOYSA-N
XLogP11.84
TPSA503.15 Ų
H-Bond Donors10
H-Bond Acceptors33
Rotatable Bonds13
Heavy Atoms118
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001729.89
LogP ≤ 511.84
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1033

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze (2-aminoquinazolin-7-yl)boronic acid;7-(2-aminoquinazolin-7-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine;7-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;tris(1-ethoxypropane);4-oxa-7-azaspiro[2.5]octane with MolForge

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Related Compounds

potassium;acetic acid;7-bromo-N-(3-chloro-4-fluorophenyl)-2-pyridin-3-ylquinazolin-4-amine;N-(3-chloro-4-fluorophenyl)-7-(piperidin-1-ylmethyl)-2-pyridin-3-ylquinazolin-4-amine;methane;1-methanidylpiperidine;palladium;trifluoroborane
CID 157928637
acetonitrile;(2R,6R)-4-[[4-chloro-7-(3-chloro-2-pyridinyl)quinazolin-2-yl]methyl]-2,6-dimethylmorpholine;2-(2-chlorophenyl)ethanamine;N-[2-(2-chlorophenyl)ethyl]-7-(3-chloro-2-pyridinyl)-2-[[(2R,6R)-2,6-dimethylmorpholin-4-yl]methyl]quinazolin-4-amine
CID 158399349
3-bromoaniline;bis(2-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine);2,4-dichloropyrimidine;3-morpholin-4-ylpropan-1-amine;bis(3-pyridin-3-ylaniline);pyridin-3-ylboronic acid
CID 158693934
3-bromoaniline;2-chloro-N-(3-morpholin-4-ylpropyl)pyrimidin-4-amine;2,4-dichloropyrimidine;3-morpholin-4-ylpropan-1-amine;3-pyridin-3-ylaniline;pyridin-3-ylboronic acid
CID 160171868
7-(2-aminoquinolin-7-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;7-bromoquinolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;bis(1-ethoxypropane);7-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]quinolin-2-amine;4-oxa-7-azaspiro[2.5]octane;7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2-amine
CID 160498440
7-(2-aminoquinazolin-6-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;6-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;bis(1-ethoxypropane);6-[4-[(3S)-3-methylmorpholin-4-yl]-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-7-yl]quinazolin-2-amine;4-oxa-7-azaspiro[2.5]octane;6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinazolin-2-amine
CID 160990431
4-[4-(4-Benzylpyrimidin-2-yl)piperazin-1-yl]-7-methylquinoline;4-[4-[4-[(4-bromophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-7-methylquinoline;4-[4-[4-[(4-chlorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-7-methylquinoline;4-[4-[2-(cyclohexylmethyl)pyrimidin-4-yl]piperazin-1-yl]-7-methylquinoline;4-[4-[4-[(4-fluorophenyl)methyl]pyrimidin-2-yl]piperazin-1-yl]-7-methylquinoline;7-methyl-4-[4-(2-piperidin-1-ylpyrimidin-4-yl)piperazin-1-yl]quinoline;4-[4-[4-(7-methylquinolin-4-yl)piperazin-1-yl]pyrimidin-2-yl]morpholine
CID 164134907

Frequently Asked Questions

What is the IUPAC name of (2-aminoquinazolin-7-yl)boronic acid;7-(2-aminoquinazolin-7-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine;7-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;tris(1-ethoxypropane);4-oxa-7-azaspiro[2.5]octane?
The IUPAC name of (2-aminoquinazolin-7-yl)boronic acid;7-(2-aminoquinazolin-7-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine;7-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;tris(1-ethoxypropane);4-oxa-7-azaspiro[2.5]octane (CID 159012171) is (2-aminoquinazolin-7-yl)boronic acid;7-(2-aminoquinazolin-7-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine;7-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;tris(1-ethoxypropane);4-oxa-7-azaspiro[2.5]octane.
What is the SMILES notation for (2-aminoquinazolin-7-yl)boronic acid;7-(2-aminoquinazolin-7-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine;7-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;tris(1-ethoxypropane);4-oxa-7-azaspiro[2.5]octane?
The canonical SMILES for (2-aminoquinazolin-7-yl)boronic acid;7-(2-aminoquinazolin-7-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine;7-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;tris(1-ethoxypropane);4-oxa-7-azaspiro[2.5]octane is C1COC2(CC2)CN1.CCCOCC.CCCOCC.CCCOCC.Nc1nc(Cl)nc2nc(Cl)ccc12.Nc1ncc2ccc(-c3ccc4c(N)nc(Cl)nc4n3)cc2n1.Nc1ncc2ccc(-c3ccc4c(N)nc(N5CCOC6(CC6)C5)nc4n3)cc2n1.Nc1ncc2ccc(B(O)O)cc2n1.Nc1ncc2ccc(Br)cc2n1.
What is the InChIKey of (2-aminoquinazolin-7-yl)boronic acid;7-(2-aminoquinazolin-7-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine;7-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;tris(1-ethoxypropane);4-oxa-7-azaspiro[2.5]octane?
The InChIKey is JSQBGTLIWUZYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N8O.C15H10ClN7.C8H8BN3O2.C8H6BrN3.C7H4Cl2N4.C6H11NO.3C5H12O/c22-17-14-3-4-15(12-1-2-13-10-24-19(23)26-16(13)9-12)25-18(14)28-20(27-17)29-7-8-30-21(11-29)5-6-21;16-14-22-12(17)9-3-4-10(20-13(9)23-14)7-1-2-8-6-19-15(18)21-11(8)5-7;10-8-11-4-5-1-2-6(9(13)14)3-7(5)12-8;9-6-2-1-5-4-11-8(10)12-7(5)3-6;8-4-2-1-3-5(10)12-7(9)13-6(3)11-4;1-2-6(1)5-7-3-4-8-6;3*1-3-5-6-4-2/h1-4,9-10H,5-8,11H2,(H2,23,24,26)(H2,22,25,27,28);1-6H,(H2,18,19,21)(H2,17,20,22,23);1-4,13-14H,(H2,10,11,12);1-4H,(H2,10,11,12);1-2H,(H2,10,11,12,13);7H,1-5H2;3*3-5H2,1-2H3.
What are the key properties of (2-aminoquinazolin-7-yl)boronic acid;7-(2-aminoquinazolin-7-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine;7-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;tris(1-ethoxypropane);4-oxa-7-azaspiro[2.5]octane?
(2-aminoquinazolin-7-yl)boronic acid;7-(2-aminoquinazolin-7-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine;7-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;tris(1-ethoxypropane);4-oxa-7-azaspiro[2.5]octane has a molecular weight of 1729.89 g/mol, XLogP of 11.84, 13 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for (2-aminoquinazolin-7-yl)boronic acid;7-(2-aminoquinazolin-7-yl)-2-chloropyrido[2,3-d]pyrimidin-4-amine;7-(2-aminoquinazolin-7-yl)-2-(4-oxa-7-azaspiro[2.5]octan-7-yl)pyrido[2,3-d]pyrimidin-4-amine;7-bromoquinazolin-2-amine;2,7-dichloropyrido[2,3-d]pyrimidin-4-amine;tris(1-ethoxypropane);4-oxa-7-azaspiro[2.5]octane is sourced from PubChem (CID 159012171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).