7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one

C21H19ClN4O — CID 135875268

IUPAC7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one
SMILESCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)Cc1cccc2cccnc12
InChIInChI=1S/C21H19ClN4O/c1-2-26(12-15-6-3-5-14-7-4-10-23-20(14)15)13-19-24-18-11-16(22)8-9-17(18)21(27)25-19/h3-11H,2,12-13H2,1H3,(H,24,25,27)
InChIKeyRTADBFLENMTOJA-UHFFFAOYSA-N
MW378.86 g/mol
LogP4.15
Rot. Bonds5

About 7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one

7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 135875268) has the molecular formula C21H19ClN4O and a molecular weight of 378.86 g/mol. Its IUPAC name is 7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one
PubChem CID135875268
Molecular FormulaC21H19ClN4O
Molecular Weight378.86 g/mol
Exact Mass378.12
IUPAC Name7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one
SMILESCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)Cc1cccc2cccnc12
InChIInChI=1S/C21H19ClN4O/c1-2-26(12-15-6-3-5-14-7-4-10-23-20(14)15)13-19-24-18-11-16(22)8-9-17(18)21(27)25-19/h3-11H,2,12-13H2,1H3,(H,24,25,27)
InChIKeyRTADBFLENMTOJA-UHFFFAOYSA-N
XLogP4.15
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.86
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[ethyl(naphthalen-1-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135808474
2-[[(2-chlorophenyl)methyl-ethylamino]methyl]-3H-quinazolin-4-one
CID 135808290
N-ethyl-N-(quinolin-8-ylmethyl)ethanamine
CID 2320167
4-oxo-2-(quinolin-8-ylmethyl)-3H-quinazoline-7-carboxylic acid
CID 135833192
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(3-chlorophenoxy)-N-ethylacetamide
CID 135875144
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(2,6-dimethylphenoxy)-N-ethylacetamide
CID 135875142
1-[[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-4-methyl-[1,2,4]triazolo[4,3-a]quinazolin-5-one
CID 135886996
2-[[(3-benzhydryloxy-2-hydroxypropyl)-ethylamino]methyl]-7-chloro-3H-quinazolin-4-one
CID 135670630
2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 135512409
2-[[ethyl-[(2-methoxyphenyl)methyl]amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135739497
7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135811769
2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 135550205

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one (CID 135875268) is 7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one is CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)Cc1cccc2cccnc12.
What is the InChIKey of 7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is RTADBFLENMTOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O/c1-2-26(12-15-6-3-5-14-7-4-10-23-20(14)15)13-19-24-18-11-16(22)8-9-17(18)21(27)25-19/h3-11H,2,12-13H2,1H3,(H,24,25,27).
What are the key properties of 7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 378.86 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135875268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).