3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chlorophenol;ethane;6-[2-(5-methoxy-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine

C42H37ClN8O2 — CID 144943641

IUPAC3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chlorophenol;ethane;6-[2-(5-methoxy-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine
SMILESCC.COc1ccc(C)c(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1.Nc1ncnc2ccc(-c3cccnc3-c3cc(O)ccc3Cl)cc12
InChIInChI=1S/C21H18N4O.C19H13ClN4O.C2H6/c1-13-5-7-15(26-2)11-17(13)20-16(4-3-9-23-20)14-6-8-19-18(10-14)21(22)25-12-24-19;20-16-5-4-12(25)9-14(16)18-13(2-1-7-22-18)11-3-6-17-15(8-11)19(21)24-10-23-17;1-2/h3-12H,1-2H3,(H2,22,24,25);1-10,25H,(H2,21,23,24);1-2H3
InChIKeyCQJDUXOZTZLVJY-UHFFFAOYSA-N
MW721.27 g/mol
LogP9.58
Rot. Bonds5

About 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chlorophenol;ethane;6-[2-(5-methoxy-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine

3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chlorophenol;ethane;6-[2-(5-methoxy-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 144943641) has the molecular formula C42H37ClN8O2 and a molecular weight of 721.27 g/mol. Its IUPAC name is 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chlorophenol;ethane;6-[2-(5-methoxy-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound Name3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chlorophenol;ethane;6-[2-(5-methoxy-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine
PubChem CID144943641
Molecular FormulaC42H37ClN8O2
Molecular Weight721.27 g/mol
Exact Mass720.27
IUPAC Name3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chlorophenol;ethane;6-[2-(5-methoxy-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine
SMILESCC.COc1ccc(C)c(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1.Nc1ncnc2ccc(-c3cccnc3-c3cc(O)ccc3Cl)cc12
InChIInChI=1S/C21H18N4O.C19H13ClN4O.C2H6/c1-13-5-7-15(26-2)11-17(13)20-16(4-3-9-23-20)14-6-8-19-18(10-14)21(22)25-12-24-19;20-16-5-4-12(25)9-14(16)18-13(2-1-7-22-18)11-3-6-17-15(8-11)19(21)24-10-23-17;1-2/h3-12H,1-2H3,(H2,22,24,25);1-10,25H,(H2,21,23,24);1-2H3
InChIKeyCQJDUXOZTZLVJY-UHFFFAOYSA-N
XLogP9.58
TPSA158.84 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500721.27
LogP ≤ 59.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chlorophenol;ethane;6-[2-(5-methoxy-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

6-[(4-chlorophenyl)(4-methoxyphenyl)methyl]-N-(1-phenylpiperidin-4-yl)quinazolin-4-amine
CID 118916195
1-[[6-[2-Chloro-3-[2-methyl-3-[(2-methylpyrido[3,2-d]pyrimidin-4-yl)amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]-4-methylpiperidin-4-ol
CID 156278916
1-[[6-[2-Chloro-3-[2-methyl-3-[(2-methylpyrido[3,2-d]pyrimidin-4-yl)amino]phenyl]phenyl]-2-methoxy-3-pyridinyl]methyl]piperidin-4-ol
CID 156279010
N-(3-chloro-4-fluorophenyl)-6-(6-methoxypyridin-3-yl)-2-(pyridin-3-yl)quinazolin-4-amine
CID 67298192
N-(3-chloro-4-fluorophenyl)-6-(4-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180548
N-[(4-chloro-3-fluorophenyl)methyl]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180583
N-[(3-chloro-4-fluorophenyl)methyl]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180683
N-[(2-chloro-4-fluorophenyl)methyl]-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180781
N-(3-chloro-4-fluorophenyl)-6-(3,4-dimethoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180940
N-(3-chloro-2-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180945
N-(2-chloro-4-fluorophenyl)-6-(3-methoxyphenyl)-2-pyridin-3-ylquinazolin-4-amine
CID 71180964
N-(3-chloro-4-fluorophenyl)-6-(6-methoxy-3-pyridinyl)-8-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 71180973

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chlorophenol;ethane;6-[2-(5-methoxy-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chlorophenol;ethane;6-[2-(5-methoxy-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine (CID 144943641) is 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chlorophenol;ethane;6-[2-(5-methoxy-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chlorophenol;ethane;6-[2-(5-methoxy-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chlorophenol;ethane;6-[2-(5-methoxy-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine is CC.COc1ccc(C)c(-c2ncccc2-c2ccc3ncnc(N)c3c2)c1.Nc1ncnc2ccc(-c3cccnc3-c3cc(O)ccc3Cl)cc12.
What is the InChIKey of 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chlorophenol;ethane;6-[2-(5-methoxy-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is CQJDUXOZTZLVJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O.C19H13ClN4O.C2H6/c1-13-5-7-15(26-2)11-17(13)20-16(4-3-9-23-20)14-6-8-19-18(10-14)21(22)25-12-24-19;20-16-5-4-12(25)9-14(16)18-13(2-1-7-22-18)11-3-6-17-15(8-11)19(21)24-10-23-17;1-2/h3-12H,1-2H3,(H2,22,24,25);1-10,25H,(H2,21,23,24);1-2H3.
What are the key properties of 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chlorophenol;ethane;6-[2-(5-methoxy-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine?
3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chlorophenol;ethane;6-[2-(5-methoxy-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 721.27 g/mol, XLogP of 9.58, 5 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-aminoquinazolin-6-yl)-2-pyridinyl]-4-chlorophenol;ethane;6-[2-(5-methoxy-2-methylphenyl)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 144943641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).