7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine

C16H14ClN3O — CID 1490527

IUPAC7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C16H14ClN3O/c1-21-13-5-2-11(3-6-13)9-18-16-14-7-4-12(17)8-15(14)19-10-20-16/h2-8,10H,9H2,1H3,(H,18,19,20)
InChIKeyPVLOMXHKKBSQTP-UHFFFAOYSA-N
MW299.76 g/mol
LogP3.90
Rot. Bonds4

About 7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine

7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine (PubChem CID 1490527) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
PubChem CID1490527
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
SMILESCOc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1
InChIInChI=1S/C16H14ClN3O/c1-21-13-5-2-11(3-6-13)9-18-16-14-7-4-12(17)8-15(14)19-10-20-16/h2-8,10H,9H2,1H3,(H,18,19,20)
InChIKeyPVLOMXHKKBSQTP-UHFFFAOYSA-N
XLogP3.90
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine (CID 1490527) is 7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine is COc1ccc(CNc2ncnc3cc(Cl)ccc23)cc1.
What is the InChIKey of 7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
The InChIKey is PVLOMXHKKBSQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-21-13-5-2-11(3-6-13)9-18-16-14-7-4-12(17)8-15(14)19-10-20-16/h2-8,10H,9H2,1H3,(H,18,19,20).
What are the key properties of 7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine?
7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine has a molecular weight of 299.76 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(4-methoxyphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 1490527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).