6-[2-[3-[4-amino-6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-8-yl]-4-fluorophenyl]-3-pyridinyl]-8-methylquinazolin-4-amine;6-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-3-pyridinyl]quinazolin-4-amine;ethane

C63H53ClF4N12 — CID 144943551

IUPAC6-[2-[3-[4-amino-6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-8-yl]-4-fluorophenyl]-3-pyridinyl]-8-methylquinazolin-4-amine;6-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-3-pyridinyl]quinazolin-4-amine;ethane
SMILESCC.CC.CC1C=C(F)C(F)=CC1c1ncccc1-c1ccc2ncnc(N)c2c1.Cc1cc(-c2cccnc2-c2ccc(F)c(-c3cc(-c4cccnc4-c4ccc(F)c(Cl)c4)cc4c(N)ncnc34)c2)cc2c(N)ncnc12
InChIInChI=1S/C39H25ClF2N8.C20H16F2N4.2C2H6/c1-20-12-23(15-29-34(20)47-18-49-38(29)43)25-4-2-10-45-35(25)21-6-8-32(41)27(13-21)28-14-24(16-30-37(28)48-19-50-39(30)44)26-5-3-11-46-36(26)22-7-9-33(42)31(40)17-22;1-11-7-16(21)17(22)9-14(11)19-13(3-2-6-24-19)12-4-5-18-15(8-12)20(23)26-10-25-18;2*1-2/h2-19H,1H3,(H2,43,47,49)(H2,44,48,50);2-11,14H,1H3,(H2,23,25,26);2*1-2H3
InChIKeyMBCGOBLIVAZTIR-UHFFFAOYSA-N
MW1089.65 g/mol
LogP15.87
Rot. Bonds7

About 6-[2-[3-[4-amino-6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-8-yl]-4-fluorophenyl]-3-pyridinyl]-8-methylquinazolin-4-amine;6-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-3-pyridinyl]quinazolin-4-amine;ethane

6-[2-[3-[4-amino-6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-8-yl]-4-fluorophenyl]-3-pyridinyl]-8-methylquinazolin-4-amine;6-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-3-pyridinyl]quinazolin-4-amine;ethane (PubChem CID 144943551) has the molecular formula C63H53ClF4N12 and a molecular weight of 1089.65 g/mol. Its IUPAC name is 6-[2-[3-[4-amino-6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-8-yl]-4-fluorophenyl]-3-pyridinyl]-8-methylquinazolin-4-amine;6-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-3-pyridinyl]quinazolin-4-amine;ethane.

Molecular Properties

Compound Name6-[2-[3-[4-amino-6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-8-yl]-4-fluorophenyl]-3-pyridinyl]-8-methylquinazolin-4-amine;6-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-3-pyridinyl]quinazolin-4-amine;ethane
PubChem CID144943551
Molecular FormulaC63H53ClF4N12
Molecular Weight1089.65 g/mol
Exact Mass1088.41
IUPAC Name6-[2-[3-[4-amino-6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-8-yl]-4-fluorophenyl]-3-pyridinyl]-8-methylquinazolin-4-amine;6-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-3-pyridinyl]quinazolin-4-amine;ethane
SMILESCC.CC.CC1C=C(F)C(F)=CC1c1ncccc1-c1ccc2ncnc(N)c2c1.Cc1cc(-c2cccnc2-c2ccc(F)c(-c3cc(-c4cccnc4-c4ccc(F)c(Cl)c4)cc4c(N)ncnc34)c2)cc2c(N)ncnc12
InChIInChI=1S/C39H25ClF2N8.C20H16F2N4.2C2H6/c1-20-12-23(15-29-34(20)47-18-49-38(29)43)25-4-2-10-45-35(25)21-6-8-32(41)27(13-21)28-14-24(16-30-37(28)48-19-50-39(30)44)26-5-3-11-46-36(26)22-7-9-33(42)31(40)17-22;1-11-7-16(21)17(22)9-14(11)19-13(3-2-6-24-19)12-4-5-18-15(8-12)20(23)26-10-25-18;2*1-2/h2-19H,1H3,(H2,43,47,49)(H2,44,48,50);2-11,14H,1H3,(H2,23,25,26);2*1-2H3
InChIKeyMBCGOBLIVAZTIR-UHFFFAOYSA-N
XLogP15.87
TPSA194.07 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds7
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001089.65
LogP ≤ 515.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Analyze 6-[2-[3-[4-amino-6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-8-yl]-4-fluorophenyl]-3-pyridinyl]-8-methylquinazolin-4-amine;6-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-3-pyridinyl]quinazolin-4-amine;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Aminoquinazoline, 18
CID 24863671
6-(2-chlorophenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
CID 3234184
5-(3-Chloro-phenyl)-7-(6-dimethylamino-pyridin-3-yl)-6-phenyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10004031
6-[bis(4-chlorophenyl)methyl]-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]quinazolin-4-amine
CID 118916049
6-[bis(4-chlorophenyl)methyl]-N-[(3-fluorophenyl)methyl]quinazolin-4-amine
CID 118916077
6-[bis(4-chlorophenyl)methyl]-N-[1-[4-(trifluoromethyl)phenyl]piperidin-4-yl]quinazolin-4-amine
CID 118916157
6-[bis(4-chlorophenyl)methyl]-N-[[5-(trifluoromethyl)pyridin-2-yl]methyl]quinazolin-4-amine
CID 118916205
6-[bis(4-chlorophenyl)methyl]-N-[(4-fluorophenyl)methyl]quinazolin-4-amine
CID 118916228
6-[bis(4-chlorophenyl)methyl]-N-[[5-(trifluoromethyl)pyridin-3-yl]methyl]quinazolin-4-amine
CID 118916235
US9981944, Example 110
CID 122500857
US11839613, Example 123
CID 151730317
6-(3-chlorophenyl)-N-(3-pyridinylmethyl)-4-quinazolinamine
CID 44142056

Frequently Asked Questions

What is the IUPAC name of 6-[2-[3-[4-amino-6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-8-yl]-4-fluorophenyl]-3-pyridinyl]-8-methylquinazolin-4-amine;6-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-3-pyridinyl]quinazolin-4-amine;ethane?
The IUPAC name of 6-[2-[3-[4-amino-6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-8-yl]-4-fluorophenyl]-3-pyridinyl]-8-methylquinazolin-4-amine;6-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-3-pyridinyl]quinazolin-4-amine;ethane (CID 144943551) is 6-[2-[3-[4-amino-6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-8-yl]-4-fluorophenyl]-3-pyridinyl]-8-methylquinazolin-4-amine;6-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-3-pyridinyl]quinazolin-4-amine;ethane.
What is the SMILES notation for 6-[2-[3-[4-amino-6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-8-yl]-4-fluorophenyl]-3-pyridinyl]-8-methylquinazolin-4-amine;6-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-3-pyridinyl]quinazolin-4-amine;ethane?
The canonical SMILES for 6-[2-[3-[4-amino-6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-8-yl]-4-fluorophenyl]-3-pyridinyl]-8-methylquinazolin-4-amine;6-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-3-pyridinyl]quinazolin-4-amine;ethane is CC.CC.CC1C=C(F)C(F)=CC1c1ncccc1-c1ccc2ncnc(N)c2c1.Cc1cc(-c2cccnc2-c2ccc(F)c(-c3cc(-c4cccnc4-c4ccc(F)c(Cl)c4)cc4c(N)ncnc34)c2)cc2c(N)ncnc12.
What is the InChIKey of 6-[2-[3-[4-amino-6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-8-yl]-4-fluorophenyl]-3-pyridinyl]-8-methylquinazolin-4-amine;6-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-3-pyridinyl]quinazolin-4-amine;ethane?
The InChIKey is MBCGOBLIVAZTIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H25ClF2N8.C20H16F2N4.2C2H6/c1-20-12-23(15-29-34(20)47-18-49-38(29)43)25-4-2-10-45-35(25)21-6-8-32(41)27(13-21)28-14-24(16-30-37(28)48-19-50-39(30)44)26-5-3-11-46-36(26)22-7-9-33(42)31(40)17-22;1-11-7-16(21)17(22)9-14(11)19-13(3-2-6-24-19)12-4-5-18-15(8-12)20(23)26-10-25-18;2*1-2/h2-19H,1H3,(H2,43,47,49)(H2,44,48,50);2-11,14H,1H3,(H2,23,25,26);2*1-2H3.
What are the key properties of 6-[2-[3-[4-amino-6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-8-yl]-4-fluorophenyl]-3-pyridinyl]-8-methylquinazolin-4-amine;6-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-3-pyridinyl]quinazolin-4-amine;ethane?
6-[2-[3-[4-amino-6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-8-yl]-4-fluorophenyl]-3-pyridinyl]-8-methylquinazolin-4-amine;6-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-3-pyridinyl]quinazolin-4-amine;ethane has a molecular weight of 1089.65 g/mol, XLogP of 15.87, 7 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-[4-amino-6-[2-(3-chloro-4-fluorophenyl)-3-pyridinyl]quinazolin-8-yl]-4-fluorophenyl]-3-pyridinyl]-8-methylquinazolin-4-amine;6-[2-(3,4-difluoro-6-methylcyclohexa-2,4-dien-1-yl)-3-pyridinyl]quinazolin-4-amine;ethane is sourced from PubChem (CID 144943551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).