2-amino-6-[1-(3-chlorophenyl)ethylamino]-3H-quinazolin-4-one

C16H15ClN4O — CID 135419221

IUPAC2-amino-6-[1-(3-chlorophenyl)ethylamino]-3H-quinazolin-4-one
SMILESCC(Nc1ccc2nc(N)[nH]c(=O)c2c1)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN4O/c1-9(10-3-2-4-11(17)7-10)19-12-5-6-14-13(8-12)15(22)21-16(18)20-14/h2-9,19H,1H3,(H3,18,20,21,22)
InChIKeyZPUGIINZXVPODK-UHFFFAOYSA-N
MW314.78 g/mol
LogP3.33
Rot. Bonds3

About 2-amino-6-[1-(3-chlorophenyl)ethylamino]-3H-quinazolin-4-one

2-amino-6-[1-(3-chlorophenyl)ethylamino]-3H-quinazolin-4-one (PubChem CID 135419221) has the molecular formula C16H15ClN4O and a molecular weight of 314.78 g/mol. Its IUPAC name is 2-amino-6-[1-(3-chlorophenyl)ethylamino]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-amino-6-[1-(3-chlorophenyl)ethylamino]-3H-quinazolin-4-one
PubChem CID135419221
Molecular FormulaC16H15ClN4O
Molecular Weight314.78 g/mol
Exact Mass314.09
IUPAC Name2-amino-6-[1-(3-chlorophenyl)ethylamino]-3H-quinazolin-4-one
SMILESCC(Nc1ccc2nc(N)[nH]c(=O)c2c1)c1cccc(Cl)c1
InChIInChI=1S/C16H15ClN4O/c1-9(10-3-2-4-11(17)7-10)19-12-5-6-14-13(8-12)15(22)21-16(18)20-14/h2-9,19H,1H3,(H3,18,20,21,22)
InChIKeyZPUGIINZXVPODK-UHFFFAOYSA-N
XLogP3.33
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.78
LogP ≤ 53.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-2-[[(1S)-1-phenylethyl]amino]-3H-quinazolin-4-one
CID 135450956
2-[(1R)-1-[[(1R)-1-(3-chlorophenyl)ethyl]amino]ethyl]-3H-quinazolin-4-one
CID 135809073
N-[1-(3-chlorophenyl)ethyl]-4-propan-2-ylaniline
CID 43101592
2-[[[(1R)-1-(3-chlorophenyl)ethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809077
3-N-[(1R)-1-(3-chlorophenyl)ethyl]-1H-1,2,4-triazole-3,5-diamine
CID 146673450
2-amino-4-[1-(3-chlorophenyl)ethylamino]benzenesulfonamide
CID 79466950
N-[1-(3-chlorophenyl)ethyl]-1H-indol-5-amine
CID 43093889
3,5-dichloro-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43106074
6-N-[1-(3-chlorophenyl)ethyl]pyridine-2,6-diamine
CID 80646586
N-[1-(3-chlorophenyl)ethyl]-3-fluoroaniline
CID 43104012
3-bromo-N-[1-(3-chlorophenyl)ethyl]aniline
CID 43100997
N-[1-(3-chlorophenyl)ethyl]-1H-pyrazol-4-amine
CID 43539939

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[1-(3-chlorophenyl)ethylamino]-3H-quinazolin-4-one?
The IUPAC name of 2-amino-6-[1-(3-chlorophenyl)ethylamino]-3H-quinazolin-4-one (CID 135419221) is 2-amino-6-[1-(3-chlorophenyl)ethylamino]-3H-quinazolin-4-one.
What is the SMILES notation for 2-amino-6-[1-(3-chlorophenyl)ethylamino]-3H-quinazolin-4-one?
The canonical SMILES for 2-amino-6-[1-(3-chlorophenyl)ethylamino]-3H-quinazolin-4-one is CC(Nc1ccc2nc(N)[nH]c(=O)c2c1)c1cccc(Cl)c1.
What is the InChIKey of 2-amino-6-[1-(3-chlorophenyl)ethylamino]-3H-quinazolin-4-one?
The InChIKey is ZPUGIINZXVPODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O/c1-9(10-3-2-4-11(17)7-10)19-12-5-6-14-13(8-12)15(22)21-16(18)20-14/h2-9,19H,1H3,(H3,18,20,21,22).
What are the key properties of 2-amino-6-[1-(3-chlorophenyl)ethylamino]-3H-quinazolin-4-one?
2-amino-6-[1-(3-chlorophenyl)ethylamino]-3H-quinazolin-4-one has a molecular weight of 314.78 g/mol, XLogP of 3.33, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[1-(3-chlorophenyl)ethylamino]-3H-quinazolin-4-one is sourced from PubChem (CID 135419221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).