2-[[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]methyl]-7-chloro-3H-quinazolin-4-one

C16H18ClN5OS — CID 137032379

IUPAC2-[[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]methyl]-7-chloro-3H-quinazolin-4-one
SMILESCCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)Cc1cnc(N)s1
InChIInChI=1S/C16H18ClN5OS/c1-2-5-22(8-11-7-19-16(18)24-11)9-14-20-13-6-10(17)3-4-12(13)15(23)21-14/h3-4,6-7H,2,5,8-9H2,1H3,(H2,18,19)(H,20,21,23)
InChIKeyXZKKWNOAEGYOFW-UHFFFAOYSA-N
MW363.87 g/mol
LogP3.03
Rot. Bonds6

About 2-[[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]methyl]-7-chloro-3H-quinazolin-4-one

2-[[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]methyl]-7-chloro-3H-quinazolin-4-one (PubChem CID 137032379) has the molecular formula C16H18ClN5OS and a molecular weight of 363.87 g/mol. Its IUPAC name is 2-[[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]methyl]-7-chloro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]methyl]-7-chloro-3H-quinazolin-4-one
PubChem CID137032379
Molecular FormulaC16H18ClN5OS
Molecular Weight363.87 g/mol
Exact Mass363.09
IUPAC Name2-[[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]methyl]-7-chloro-3H-quinazolin-4-one
SMILESCCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)Cc1cnc(N)s1
InChIInChI=1S/C16H18ClN5OS/c1-2-5-22(8-11-7-19-16(18)24-11)9-14-20-13-6-10(17)3-4-12(13)15(23)21-14/h3-4,6-7H,2,5,8-9H2,1H3,(H2,18,19)(H,20,21,23)
InChIKeyXZKKWNOAEGYOFW-UHFFFAOYSA-N
XLogP3.03
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.87
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]methyl]-7-chloro-3H-quinazolin-4-one with MolForge

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Related Compounds

3-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]propanenitrile
CID 167913239
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-methyl-N-propylfuran-2-carboxamide
CID 135904299
2-[[[(2S)-3-(4-bromophenoxy)-2-hydroxypropyl]-propylamino]methyl]-7-chloro-3H-quinazolin-4-one
CID 135879073
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3,5-dimethoxy-4-methyl-N-propylbenzamide
CID 135962428
3-chloro-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propyl-1-benzothiophene-2-carboxamide
CID 135888519
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3,5-dimethyl-N-propyl-1,2-oxazole-4-carboxamide
CID 135583708
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(methylamino)-N-propylacetamide;hydrochloride
CID 137131264
(E)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-3-(5-methylthiophen-2-yl)-N-propylprop-2-enamide
CID 135579923
2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one
CID 136917917
5-acetyl-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylthiophene-2-carboxamide
CID 135931570
7-chloro-2-[[ethyl(quinolin-8-ylmethyl)amino]methyl]-3H-quinazolin-4-one
CID 135875268
5-(1,3-benzothiazol-2-yl)-N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N-propylfuran-2-carboxamide
CID 136959707

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]methyl]-7-chloro-3H-quinazolin-4-one?
The IUPAC name of 2-[[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]methyl]-7-chloro-3H-quinazolin-4-one (CID 137032379) is 2-[[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]methyl]-7-chloro-3H-quinazolin-4-one.
What is the SMILES notation for 2-[[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]methyl]-7-chloro-3H-quinazolin-4-one?
The canonical SMILES for 2-[[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]methyl]-7-chloro-3H-quinazolin-4-one is CCCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)Cc1cnc(N)s1.
What is the InChIKey of 2-[[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]methyl]-7-chloro-3H-quinazolin-4-one?
The InChIKey is XZKKWNOAEGYOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5OS/c1-2-5-22(8-11-7-19-16(18)24-11)9-14-20-13-6-10(17)3-4-12(13)15(23)21-14/h3-4,6-7H,2,5,8-9H2,1H3,(H2,18,19)(H,20,21,23).
What are the key properties of 2-[[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]methyl]-7-chloro-3H-quinazolin-4-one?
2-[[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]methyl]-7-chloro-3H-quinazolin-4-one has a molecular weight of 363.87 g/mol, XLogP of 3.03, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-amino-1,3-thiazol-5-yl)methyl-propylamino]methyl]-7-chloro-3H-quinazolin-4-one is sourced from PubChem (CID 137032379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).