N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine

C17H16ClN3 — CID 21002588

IUPACN-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine
SMILESCCc1ccc2ncnc(NCc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C17H16ClN3/c1-2-12-5-8-16-15(9-12)17(21-11-20-16)19-10-13-3-6-14(18)7-4-13/h3-9,11H,2,10H2,1H3,(H,19,20,21)
InChIKeyOFJNUGTYBBTYSI-UHFFFAOYSA-N
MW297.79 g/mol
LogP4.46
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine

N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine (PubChem CID 21002588) has the molecular formula C17H16ClN3 and a molecular weight of 297.79 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine
PubChem CID21002588
Molecular FormulaC17H16ClN3
Molecular Weight297.79 g/mol
Exact Mass297.10
IUPAC NameN-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine
SMILESCCc1ccc2ncnc(NCc3ccc(Cl)cc3)c2c1
InChIInChI=1S/C17H16ClN3/c1-2-12-5-8-16-15(9-12)17(21-11-20-16)19-10-13-3-6-14(18)7-4-13/h3-9,11H,2,10H2,1H3,(H,19,20,21)
InChIKeyOFJNUGTYBBTYSI-UHFFFAOYSA-N
XLogP4.46
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-ethyl-N-(pyridin-4-ylmethyl)quinazolin-4-amine
CID 21002595
N-[(4-ethylphenyl)methyl]-6-methoxyquinazolin-4-amine
CID 167659658
6-chloro-N-[[4-(trifluoromethyl)phenyl]methyl]quinazolin-4-amine
CID 70854816
methyl 4-[[[6-[bis(4-chlorophenyl)methyl]quinazolin-4-yl]amino]methyl]benzoate
CID 118916124
N-(3-chlorophenyl)-6-ethylquinazolin-4-amine
CID 21002612
6-chloro-N-[(3,4,5-trimethoxyphenyl)methyl]quinazolin-4-amine
CID 70854812
4-N-[(4-chlorophenyl)methyl]-5-ethyl-6-N-propylpyrimidine-4,6-diamine
CID 80750556
4-N-[(4-chlorophenyl)methyl]-6-N-ethyl-5-methylpyrimidine-4,6-diamine
CID 80765162
6-N-[(4-chlorophenyl)methyl]-4-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544359
2-[2-[(6-ethylquinazolin-4-yl)amino]ethoxy]ethanol
CID 21002673
8-[(4-chlorophenyl)methylamino]-3-ethyl-1H-imidazo[4,5-g]quinazolin-2-one;hydrochloride
CID 22921755
N-[(4-bromophenyl)methyl]-6-fluoroquinazolin-4-amine
CID 133292923

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine (CID 21002588) is N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine is CCc1ccc2ncnc(NCc3ccc(Cl)cc3)c2c1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine?
The InChIKey is OFJNUGTYBBTYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN3/c1-2-12-5-8-16-15(9-12)17(21-11-20-16)19-10-13-3-6-14(18)7-4-13/h3-9,11H,2,10H2,1H3,(H,19,20,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine?
N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine has a molecular weight of 297.79 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-ethylquinazolin-4-amine is sourced from PubChem (CID 21002588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).