3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one

C18H14ClN7O — CID 38963152

IUPAC3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one
SMILESNc1nc(Cn2cnc3ccc(Cl)cc3c2=O)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H14ClN7O/c19-11-6-7-14-13(8-11)16(27)26(10-21-14)9-15-23-17(20)25-18(24-15)22-12-4-2-1-3-5-12/h1-8,10H,9H2,(H3,20,22,23,24,25)
InChIKeyIPQMEFWUWNUSRO-UHFFFAOYSA-N
MW379.81 g/mol
LogP2.61
Rot. Bonds4

About 3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one

3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one (PubChem CID 38963152) has the molecular formula C18H14ClN7O and a molecular weight of 379.81 g/mol. Its IUPAC name is 3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one.

Molecular Properties

Compound Name3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one
PubChem CID38963152
Molecular FormulaC18H14ClN7O
Molecular Weight379.81 g/mol
Exact Mass379.09
IUPAC Name3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one
SMILESNc1nc(Cn2cnc3ccc(Cl)cc3c2=O)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H14ClN7O/c19-11-6-7-14-13(8-11)16(27)26(10-21-14)9-15-23-17(20)25-18(24-15)22-12-4-2-1-3-5-12/h1-8,10H,9H2,(H3,20,22,23,24,25)
InChIKeyIPQMEFWUWNUSRO-UHFFFAOYSA-N
XLogP2.61
TPSA111.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one with MolForge

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Related Compounds

3-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one
CID 8005584
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-chloroquinazolin-4-one
CID 30834389
3-[[4-amino-6-(2-methoxyanilino)-1,3,5-triazin-2-yl]methyl]-7-fluoroquinazolin-4-one
CID 39005114
3-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-6-chloroquinazolin-4-one
CID 38873237
6-chloro-3-[(6-chloro-3-pyridinyl)methyl]quinazolin-4-one
CID 38963427
3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl]-6-methylquinazolin-4-one
CID 46484186
1-[[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl]-3-chloro-5-(trifluoromethyl)pyridin-2-one
CID 24562648
3-[(2-amino-4-chlorophenyl)methyl]quinazolin-4-one
CID 62101578
6-chloro-3-[(5-thiophen-3-yl-1,2,4-oxadiazol-3-yl)methyl]quinazolin-4-one
CID 38963586
(3aS,7aS)-2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 9298788
(4-amino-6-anilino-1,3,5-triazin-2-yl)methanol
CID 117058513
6-chloro-3-prop-2-enylquinazolin-4-one
CID 171354511

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one?
The IUPAC name of 3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one (CID 38963152) is 3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one.
What is the SMILES notation for 3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one?
The canonical SMILES for 3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one is Nc1nc(Cn2cnc3ccc(Cl)cc3c2=O)nc(Nc2ccccc2)n1.
What is the InChIKey of 3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one?
The InChIKey is IPQMEFWUWNUSRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN7O/c19-11-6-7-14-13(8-11)16(27)26(10-21-14)9-15-23-17(20)25-18(24-15)22-12-4-2-1-3-5-12/h1-8,10H,9H2,(H3,20,22,23,24,25).
What are the key properties of 3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one?
3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one has a molecular weight of 379.81 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl]-6-chloroquinazolin-4-one is sourced from PubChem (CID 38963152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).