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

C15H14ClN3OS — CID 135722541

IUPAC7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1ccsc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C15H14ClN3OS/c1-19(7-10-4-5-21-9-10)8-14-17-13-6-11(16)2-3-12(13)15(20)18-14/h2-6,9H,7-8H2,1H3,(H,17,18,20)
InChIKeyHWLRUNGCASGLKH-UHFFFAOYSA-N
MW319.82 g/mol
LogP3.27
Rot. Bonds4

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

7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one (PubChem CID 135722541) has the molecular formula C15H14ClN3OS and a molecular weight of 319.82 g/mol. Its IUPAC name is 7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one
PubChem CID135722541
Molecular FormulaC15H14ClN3OS
Molecular Weight319.82 g/mol
Exact Mass319.05
IUPAC Name7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one
SMILESCN(Cc1ccsc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C15H14ClN3OS/c1-19(7-10-4-5-21-9-10)8-14-17-13-6-11(16)2-3-12(13)15(20)18-14/h2-6,9H,7-8H2,1H3,(H,17,18,20)
InChIKeyHWLRUNGCASGLKH-UHFFFAOYSA-N
XLogP3.27
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.82
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-2-[[methyl(naphthalen-2-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135811769
7-chloro-2-[[(3,4-dimethoxyphenyl)methyl-methylamino]methyl]-3H-quinazolin-4-one
CID 135724878
7-chloro-2-[[methyl-[[5-[(1S,2S)-2-methylcyclopropyl]furan-2-yl]methyl]amino]methyl]-3H-quinazolin-4-one
CID 135952239
2-[[methyl-[(4-phenylphenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135848591
6-chloro-2-[[methyl(3-methylbutyl)amino]methyl]-3H-quinazolin-4-one
CID 136674412
2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 8784930
2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one
CID 136917917
7-chloro-2-(dimethylamino)-3H-quinazolin-4-one
CID 137287755
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-fluorophenyl)propanamide
CID 135888041
7-chloro-2-[[cyclohexyl-[(4-fluorophenyl)methyl]amino]methyl]-3H-quinazolin-4-one
CID 135811823
6-chloro-2-[[furan-2-ylmethyl(methyl)amino]methyl]-3H-quinazolin-4-one
CID 135925758
3-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]propanenitrile
CID 167913239

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
The IUPAC name of 7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one (CID 135722541) is 7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one is CN(Cc1ccsc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1.
What is the InChIKey of 7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
The InChIKey is HWLRUNGCASGLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN3OS/c1-19(7-10-4-5-21-9-10)8-14-17-13-6-11(16)2-3-12(13)15(20)18-14/h2-6,9H,7-8H2,1H3,(H,17,18,20).
What are the key properties of 7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one?
7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one has a molecular weight of 319.82 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[methyl(thiophen-3-ylmethyl)amino]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 135722541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).