2-amino-6-[6-amino-5-(2-anilinoethyl)-3-pyridinyl]-3-(2-chlorophenyl)quinazolin-4-one

C27H23ClN6O — CID 123291345

IUPAC2-amino-6-[6-amino-5-(2-anilinoethyl)-3-pyridinyl]-3-(2-chlorophenyl)quinazolin-4-one
SMILESNc1ncc(-c2ccc3nc(N)n(-c4ccccc4Cl)c(=O)c3c2)cc1CCNc1ccccc1
InChIInChI=1S/C27H23ClN6O/c28-22-8-4-5-9-24(22)34-26(35)21-15-17(10-11-23(21)33-27(34)30)19-14-18(25(29)32-16-19)12-13-31-20-6-2-1-3-7-20/h1-11,14-16,31H,12-13H2,(H2,29,32)(H2,30,33)
InChIKeySZGKVZOHGWCYIQ-UHFFFAOYSA-N
MW482.98 g/mol
LogP4.92
Rot. Bonds6

About 2-amino-6-[6-amino-5-(2-anilinoethyl)-3-pyridinyl]-3-(2-chlorophenyl)quinazolin-4-one

2-amino-6-[6-amino-5-(2-anilinoethyl)-3-pyridinyl]-3-(2-chlorophenyl)quinazolin-4-one (PubChem CID 123291345) has the molecular formula C27H23ClN6O and a molecular weight of 482.98 g/mol. Its IUPAC name is 2-amino-6-[6-amino-5-(2-anilinoethyl)-3-pyridinyl]-3-(2-chlorophenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-[6-amino-5-(2-anilinoethyl)-3-pyridinyl]-3-(2-chlorophenyl)quinazolin-4-one
PubChem CID123291345
Molecular FormulaC27H23ClN6O
Molecular Weight482.98 g/mol
Exact Mass482.16
IUPAC Name2-amino-6-[6-amino-5-(2-anilinoethyl)-3-pyridinyl]-3-(2-chlorophenyl)quinazolin-4-one
SMILESNc1ncc(-c2ccc3nc(N)n(-c4ccccc4Cl)c(=O)c3c2)cc1CCNc1ccccc1
InChIInChI=1S/C27H23ClN6O/c28-22-8-4-5-9-24(22)34-26(35)21-15-17(10-11-23(21)33-27(34)30)19-14-18(25(29)32-16-19)12-13-31-20-6-2-1-3-7-20/h1-11,14-16,31H,12-13H2,(H2,29,32)(H2,30,33)
InChIKeySZGKVZOHGWCYIQ-UHFFFAOYSA-N
XLogP4.92
TPSA111.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.98
LogP ≤ 54.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-amino-6-[6-amino-5-(2-anilinoethyl)-3-pyridinyl]-3-(2-chlorophenyl)quinazolin-4-one with MolForge

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Related Compounds

2-amino-5-[2-amino-3-(2-chlorophenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)pyridine-3-sulfonamide
CID 67982451
2-amino-5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N,N-diethylpyridine-3-sulfonamide
CID 67981291
5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-chloropyridine-3-sulfonamide
CID 88540453
2-amino-6-(5,6-dimethoxy-3-pyridinyl)-3-phenylquinazolin-4-one
CID 67982499
3-(2-chlorophenyl)-6-fluoro-2-(2-pyridin-2-ylethyl)quinazolin-4-one
CID 18362996
6-bromo-3-(2-chlorophenyl)-2-hydrazinylquinazolin-4-one
CID 13357174
5-[2-amino-3-(2-methylphenyl)-4-oxoquinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide
CID 86578332
2-amino-5-[2-amino-3-(1,4-dioxan-2-ylmethyl)-4-oxoquinazolin-6-yl]-N-phenylpyridine-3-sulfonamide
CID 67982335
5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)-N-benzyl-2-(methoxymethyl)pyridine-3-sulfonamide
CID 123692237
5-(2-amino-4-oxo-3-phenylquinazolin-6-yl)pyridine-3-carbonitrile
CID 67982930
5-[2-amino-4-oxo-3-(2-propan-2-ylphenyl)quinazolin-6-yl]-N-(2,4-difluorophenyl)-2-methoxybenzenesulfonamide
CID 86578333
3-(2-chlorophenyl)-6-fluoro-2-[[(6-methyl-2-pyridinyl)amino]methyl]quinazolin-4-one
CID 10237579

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[6-amino-5-(2-anilinoethyl)-3-pyridinyl]-3-(2-chlorophenyl)quinazolin-4-one?
The IUPAC name of 2-amino-6-[6-amino-5-(2-anilinoethyl)-3-pyridinyl]-3-(2-chlorophenyl)quinazolin-4-one (CID 123291345) is 2-amino-6-[6-amino-5-(2-anilinoethyl)-3-pyridinyl]-3-(2-chlorophenyl)quinazolin-4-one.
What is the SMILES notation for 2-amino-6-[6-amino-5-(2-anilinoethyl)-3-pyridinyl]-3-(2-chlorophenyl)quinazolin-4-one?
The canonical SMILES for 2-amino-6-[6-amino-5-(2-anilinoethyl)-3-pyridinyl]-3-(2-chlorophenyl)quinazolin-4-one is Nc1ncc(-c2ccc3nc(N)n(-c4ccccc4Cl)c(=O)c3c2)cc1CCNc1ccccc1.
What is the InChIKey of 2-amino-6-[6-amino-5-(2-anilinoethyl)-3-pyridinyl]-3-(2-chlorophenyl)quinazolin-4-one?
The InChIKey is SZGKVZOHGWCYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN6O/c28-22-8-4-5-9-24(22)34-26(35)21-15-17(10-11-23(21)33-27(34)30)19-14-18(25(29)32-16-19)12-13-31-20-6-2-1-3-7-20/h1-11,14-16,31H,12-13H2,(H2,29,32)(H2,30,33).
What are the key properties of 2-amino-6-[6-amino-5-(2-anilinoethyl)-3-pyridinyl]-3-(2-chlorophenyl)quinazolin-4-one?
2-amino-6-[6-amino-5-(2-anilinoethyl)-3-pyridinyl]-3-(2-chlorophenyl)quinazolin-4-one has a molecular weight of 482.98 g/mol, XLogP of 4.92, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[6-amino-5-(2-anilinoethyl)-3-pyridinyl]-3-(2-chlorophenyl)quinazolin-4-one is sourced from PubChem (CID 123291345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).