7-chloro-N-[(2-methylphenyl)methyl]quinazolin-4-amine

C16H14ClN3 — CID 1490541

IUPAC7-chloro-N-[(2-methylphenyl)methyl]quinazolin-4-amine
SMILESCc1ccccc1CNc1ncnc2cc(Cl)ccc12
InChIInChI=1S/C16H14ClN3/c1-11-4-2-3-5-12(11)9-18-16-14-7-6-13(17)8-15(14)19-10-20-16/h2-8,10H,9H2,1H3,(H,18,19,20)
InChIKeyWHAUTSXRLRVMIY-UHFFFAOYSA-N
MW283.76 g/mol
LogP4.20
Rot. Bonds3

About 7-chloro-N-[(2-methylphenyl)methyl]quinazolin-4-amine

7-chloro-N-[(2-methylphenyl)methyl]quinazolin-4-amine (PubChem CID 1490541) has the molecular formula C16H14ClN3 and a molecular weight of 283.76 g/mol. Its IUPAC name is 7-chloro-N-[(2-methylphenyl)methyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-[(2-methylphenyl)methyl]quinazolin-4-amine
PubChem CID1490541
Molecular FormulaC16H14ClN3
Molecular Weight283.76 g/mol
Exact Mass283.09
IUPAC Name7-chloro-N-[(2-methylphenyl)methyl]quinazolin-4-amine
SMILESCc1ccccc1CNc1ncnc2cc(Cl)ccc12
InChIInChI=1S/C16H14ClN3/c1-11-4-2-3-5-12(11)9-18-16-14-7-6-13(17)8-15(14)19-10-20-16/h2-8,10H,9H2,1H3,(H,18,19,20)
InChIKeyWHAUTSXRLRVMIY-UHFFFAOYSA-N
XLogP4.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[(2-methylphenyl)methyl]quinazolin-4-amine?
The IUPAC name of 7-chloro-N-[(2-methylphenyl)methyl]quinazolin-4-amine (CID 1490541) is 7-chloro-N-[(2-methylphenyl)methyl]quinazolin-4-amine.
What is the SMILES notation for 7-chloro-N-[(2-methylphenyl)methyl]quinazolin-4-amine?
The canonical SMILES for 7-chloro-N-[(2-methylphenyl)methyl]quinazolin-4-amine is Cc1ccccc1CNc1ncnc2cc(Cl)ccc12.
What is the InChIKey of 7-chloro-N-[(2-methylphenyl)methyl]quinazolin-4-amine?
The InChIKey is WHAUTSXRLRVMIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3/c1-11-4-2-3-5-12(11)9-18-16-14-7-6-13(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-[(2-methylphenyl)methyl]quinazolin-4-amine?
7-chloro-N-[(2-methylphenyl)methyl]quinazolin-4-amine has a molecular weight of 283.76 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[(2-methylphenyl)methyl]quinazolin-4-amine is sourced from PubChem (CID 1490541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).