4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine

C16H15ClN4 — CID 80750131

IUPAC4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NCc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C16H15ClN4/c1-18-16-20-14-5-3-2-4-13(14)15(21-16)19-10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3,(H2,18,19,20,21)
InChIKeyVENMKIWSQIDYDE-UHFFFAOYSA-N
MW298.78 g/mol
LogP3.94
Rot. Bonds4

About 4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine

4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine (PubChem CID 80750131) has the molecular formula C16H15ClN4 and a molecular weight of 298.78 g/mol. Its IUPAC name is 4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine.

Molecular Properties

Compound Name4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
PubChem CID80750131
Molecular FormulaC16H15ClN4
Molecular Weight298.78 g/mol
Exact Mass298.10
IUPAC Name4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
SMILESCNc1nc(NCc2ccc(Cl)cc2)c2ccccc2n1
InChIInChI=1S/C16H15ClN4/c1-18-16-20-14-5-3-2-4-13(14)15(21-16)19-10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3,(H2,18,19,20,21)
InChIKeyVENMKIWSQIDYDE-UHFFFAOYSA-N
XLogP3.94
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.78
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(2-fluorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine
CID 80773003
2-N,4-N-dibenzyl-6-chloroquinazoline-2,4-diamine
CID 46224520
2-chloro-N-[4-[[[2-(methylamino)quinazolin-4-yl]amino]methyl]phenyl]pyridine-3-carboxamide
CID 25025706
4-N-benzyl-2-N,6-dimethylquinazoline-2,4-diamine
CID 138683087
2-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]quinazoline-2,4-diamine
CID 80796871
2-N-methyl-4-N-(2-methylpropyl)quinazoline-2,4-diamine
CID 80770166
2-N-methyl-4-N-(1,2-oxazol-5-ylmethyl)quinazoline-2,4-diamine
CID 106424669
N-[4-[(4-methoxyphenyl)methylamino]quinazolin-2-yl]hydroxylamine
CID 71417770
4-N-benzyl-2-N-(3-chlorophenyl)quinazoline-2,4-diamine;hydrochloride
CID 44658873
N-[(4-chlorophenyl)methyl]-2-(2-methyl-3-pyridinyl)quinazolin-4-amine
CID 172698889
N-[(4-bromophenyl)methyl]-2-hydrazinylquinazolin-4-amine
CID 80912063
N-[(3-chlorophenyl)methyl]-2-hydrazinylquinazolin-4-amine
CID 80903388

Frequently Asked Questions

What is the IUPAC name of 4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine?
The IUPAC name of 4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine (CID 80750131) is 4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine.
What is the SMILES notation for 4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine?
The canonical SMILES for 4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine is CNc1nc(NCc2ccc(Cl)cc2)c2ccccc2n1.
What is the InChIKey of 4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine?
The InChIKey is VENMKIWSQIDYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4/c1-18-16-20-14-5-3-2-4-13(14)15(21-16)19-10-11-6-8-12(17)9-7-11/h2-9H,10H2,1H3,(H2,18,19,20,21).
What are the key properties of 4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine?
4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine has a molecular weight of 298.78 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(4-chlorophenyl)methyl]-2-N-methylquinazoline-2,4-diamine is sourced from PubChem (CID 80750131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).