2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine

C17H16ClN3O2 — CID 87481246

IUPAC2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2nc(Cl)nc3ccccc23)c(OC)c1
InChIInChI=1S/C17H16ClN3O2/c1-22-12-8-7-11(15(9-12)23-2)10-19-16-13-5-3-4-6-14(13)20-17(18)21-16/h3-9H,10H2,1-2H3,(H,19,20,21)
InChIKeyDIARMHTWSRQMOE-UHFFFAOYSA-N
MW329.79 g/mol
LogP3.91
Rot. Bonds5

About 2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine

2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 87481246) has the molecular formula C17H16ClN3O2 and a molecular weight of 329.79 g/mol. Its IUPAC name is 2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
PubChem CID87481246
Molecular FormulaC17H16ClN3O2
Molecular Weight329.79 g/mol
Exact Mass329.09
IUPAC Name2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2nc(Cl)nc3ccccc23)c(OC)c1
InChIInChI=1S/C17H16ClN3O2/c1-22-12-8-7-11(15(9-12)23-2)10-19-16-13-5-3-4-6-14(13)20-17(18)21-16/h3-9H,10H2,1-2H3,(H,19,20,21)
InChIKeyDIARMHTWSRQMOE-UHFFFAOYSA-N
XLogP3.91
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.79
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinazolin-4-amine
CID 91964417
N-[(2,4-dimethoxyphenyl)methyl]-2-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]quinazolin-4-amine
CID 46354956
2-(4-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]quinazolin-4-amine
CID 20963119
2-benzyl-N-[(2,5-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 69221521
3-chloro-N-[(2,4-dimethoxyphenyl)methyl]pyridin-2-amine
CID 55189857
2-chloro-N-[(4-phenoxyphenyl)methyl]quinazolin-4-amine
CID 87480931
6-chloro-2-N-[(2,4-dimethoxyphenyl)methyl]pyridine-2,3,4-triamine
CID 154666347
2-[[2-[(2,4-dimethoxyphenyl)methylamino]quinazolin-4-yl]amino]-2-methylhexan-1-ol
CID 175935294
2-chloro-N-(furan-2-ylmethyl)-6-methoxyquinazolin-4-amine
CID 171562066
2-chloro-6-[(2,4-dimethoxyphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 118425010
N-[(2,4-dimethoxyphenyl)methyl]-6-methyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 91965180
2-chloro-N-(3-methoxypropyl)quinazolin-4-amine
CID 22692600

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine (CID 87481246) is 2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine is COc1ccc(CNc2nc(Cl)nc3ccccc23)c(OC)c1.
What is the InChIKey of 2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is DIARMHTWSRQMOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3O2/c1-22-12-8-7-11(15(9-12)23-2)10-19-16-13-5-3-4-6-14(13)20-17(18)21-16/h3-9H,10H2,1-2H3,(H,19,20,21).
What are the key properties of 2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine?
2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 329.79 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 87481246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).