6-chloro-5-ethoxy-7-(5-methyl-1H-indazol-4-yl)-4-piperazin-1-ylquinazoline

C22H23ClN6O — CID 142469019

IUPAC6-chloro-5-ethoxy-7-(5-methyl-1H-indazol-4-yl)-4-piperazin-1-ylquinazoline
SMILESCCOc1c(Cl)c(-c2c(C)ccc3[nH]ncc23)cc2ncnc(N3CCNCC3)c12
InChIInChI=1S/C22H23ClN6O/c1-3-30-21-19-17(25-12-26-22(19)29-8-6-24-7-9-29)10-14(20(21)23)18-13(2)4-5-16-15(18)11-27-28-16/h4-5,10-12,24H,3,6-9H2,1-2H3,(H,27,28)
InChIKeySEPXRDKYQGREIH-UHFFFAOYSA-N
MW422.92 g/mol
LogP3.94
Rot. Bonds4

About 6-chloro-5-ethoxy-7-(5-methyl-1H-indazol-4-yl)-4-piperazin-1-ylquinazoline

6-chloro-5-ethoxy-7-(5-methyl-1H-indazol-4-yl)-4-piperazin-1-ylquinazoline (PubChem CID 142469019) has the molecular formula C22H23ClN6O and a molecular weight of 422.92 g/mol. Its IUPAC name is 6-chloro-5-ethoxy-7-(5-methyl-1H-indazol-4-yl)-4-piperazin-1-ylquinazoline.

Molecular Properties

Compound Name6-chloro-5-ethoxy-7-(5-methyl-1H-indazol-4-yl)-4-piperazin-1-ylquinazoline
PubChem CID142469019
Molecular FormulaC22H23ClN6O
Molecular Weight422.92 g/mol
Exact Mass422.16
IUPAC Name6-chloro-5-ethoxy-7-(5-methyl-1H-indazol-4-yl)-4-piperazin-1-ylquinazoline
SMILESCCOc1c(Cl)c(-c2c(C)ccc3[nH]ncc23)cc2ncnc(N3CCNCC3)c12
InChIInChI=1S/C22H23ClN6O/c1-3-30-21-19-17(25-12-26-22(19)29-8-6-24-7-9-29)10-14(20(21)23)18-13(2)4-5-16-15(18)11-27-28-16/h4-5,10-12,24H,3,6-9H2,1-2H3,(H,27,28)
InChIKeySEPXRDKYQGREIH-UHFFFAOYSA-N
XLogP3.94
TPSA78.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.92
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]propan-1-one
CID 163321831
(E)-1-[(7S)-11-chloro-12-(5-methyl-1H-indazol-4-yl)-9-oxa-2,5,15,17-tetrazatetracyclo[8.7.1.02,7.014,18]octadeca-1(17),10,12,14(18),15-pentaen-5-yl]-4-(dimethylamino)but-2-en-1-one
CID 142469036
1-[4-[6-chloro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]-2-(4-chlorophenyl)-2-iminoethanone
CID 176669795
6-chloro-8-cyclobutyloxy-7-(5-methyl-1H-indazol-4-yl)-2-(1-methylpiperidin-4-yl)oxy-4-piperazin-1-ylquinazoline
CID 172825229
4-(4-benzylpiperazin-1-yl)-5,6,7-triethoxyquinazoline
CID 71622760
1-[4-[6,8-dichloro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 134471677
4-(2,7-diazaspiro[3.5]nonan-7-yl)-6-ethenyl-8-ethoxy-7-(5-methyl-1H-indazol-4-yl)-2-(1-methylpiperidin-4-yl)quinazoline
CID 167040895
6-chloro-7-(5-methyl-1H-indazol-4-yl)-2-(oxolan-3-yloxy)-4-(4-prop-2-enylpiperazin-1-yl)quinazoline
CID 146551323
1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 118010646
1-[4-[5-chloro-6-(5-methyl-1H-indazol-4-yl)-1,2-benzoxazol-3-yl]piperazin-1-yl]prop-2-en-1-one
CID 138489669
1-[4-[6-chloro-8-fluoro-7-(5-methyl-1H-indazol-4-yl)quinazolin-4-yl]piperazin-1-yl]-4-(dimethylamino)but-2-en-1-one
CID 123863984
5-ethoxy-4-piperazin-1-ylpyrimidine;5-ethoxypyrimidine
CID 19921687

Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-ethoxy-7-(5-methyl-1H-indazol-4-yl)-4-piperazin-1-ylquinazoline?
The IUPAC name of 6-chloro-5-ethoxy-7-(5-methyl-1H-indazol-4-yl)-4-piperazin-1-ylquinazoline (CID 142469019) is 6-chloro-5-ethoxy-7-(5-methyl-1H-indazol-4-yl)-4-piperazin-1-ylquinazoline.
What is the SMILES notation for 6-chloro-5-ethoxy-7-(5-methyl-1H-indazol-4-yl)-4-piperazin-1-ylquinazoline?
The canonical SMILES for 6-chloro-5-ethoxy-7-(5-methyl-1H-indazol-4-yl)-4-piperazin-1-ylquinazoline is CCOc1c(Cl)c(-c2c(C)ccc3[nH]ncc23)cc2ncnc(N3CCNCC3)c12.
What is the InChIKey of 6-chloro-5-ethoxy-7-(5-methyl-1H-indazol-4-yl)-4-piperazin-1-ylquinazoline?
The InChIKey is SEPXRDKYQGREIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN6O/c1-3-30-21-19-17(25-12-26-22(19)29-8-6-24-7-9-29)10-14(20(21)23)18-13(2)4-5-16-15(18)11-27-28-16/h4-5,10-12,24H,3,6-9H2,1-2H3,(H,27,28).
What are the key properties of 6-chloro-5-ethoxy-7-(5-methyl-1H-indazol-4-yl)-4-piperazin-1-ylquinazoline?
6-chloro-5-ethoxy-7-(5-methyl-1H-indazol-4-yl)-4-piperazin-1-ylquinazoline has a molecular weight of 422.92 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-ethoxy-7-(5-methyl-1H-indazol-4-yl)-4-piperazin-1-ylquinazoline is sourced from PubChem (CID 142469019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).