(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium

C12H14ClN4O2+ — CID 135751172

IUPAC(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium
SMILESCNC(=O)C[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C12H13ClN4O2/c1-14-11(18)6-15-5-10-16-9-4-7(13)2-3-8(9)12(19)17-10/h2-4,15H,5-6H2,1H3,(H,14,18)(H,16,17,19)/p+1
InChIKeyWOLQSKRHDSWYGZ-UHFFFAOYSA-O
MW281.72 g/mol
LogP-0.61
Rot. Bonds4

About (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium

(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium (PubChem CID 135751172) has the molecular formula C12H14ClN4O2+ and a molecular weight of 281.72 g/mol. Its IUPAC name is (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium.

Molecular Properties

Compound Name(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium
PubChem CID135751172
Molecular FormulaC12H14ClN4O2+
Molecular Weight281.72 g/mol
Exact Mass281.08
IUPAC Name(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium
SMILESCNC(=O)C[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1
InChIInChI=1S/C12H13ClN4O2/c1-14-11(18)6-15-5-10-16-9-4-7(13)2-3-8(9)12(19)17-10/h2-4,15H,5-6H2,1H3,(H,14,18)(H,16,17,19)/p+1
InChIKeyWOLQSKRHDSWYGZ-UHFFFAOYSA-O
XLogP-0.61
TPSA91.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.72
LogP ≤ 5-0.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-aminopropyl)-7-chloro-3H-quinazolin-4-one
CID 136917917
3-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methylamino]butanamide
CID 136952206
4-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-N,N-dimethylpiperazine-1-carboxamide
CID 135939282
2-[(ethylazaniumyl)methyl]-4-oxo-3H-quinazoline-7-carboxylate
CID 135743720
N-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl]-2-(methylamino)-N-propylacetamide;hydrochloride
CID 137131264
7-chloro-2-[(3,4-difluorophenyl)sulfanylmethyl]-3H-quinazolin-4-one
CID 135722556
7-chloro-2-[(4-ethylpyridin-1-ium-1-yl)methyl]-3H-quinazolin-4-one
CID 135677170
7-chloro-2-[(2-methoxypropylamino)methyl]-3H-quinazolin-4-one
CID 136820283
2-[(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 135512409
7-chloro-2-[[[(S)-(4-methylphenyl)-phenylmethyl]amino]methyl]-3H-quinazolin-4-one
CID 135809534
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 2-[(4-chlorobenzoyl)amino]acetate
CID 135729976
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl 3-hydroxynaphthalene-2-carboxylate
CID 135850152

Frequently Asked Questions

What is the IUPAC name of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium?
The IUPAC name of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium (CID 135751172) is (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium.
What is the SMILES notation for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium?
The canonical SMILES for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium is CNC(=O)C[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1.
What is the InChIKey of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium?
The InChIKey is WOLQSKRHDSWYGZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C12H13ClN4O2/c1-14-11(18)6-15-5-10-16-9-4-7(13)2-3-8(9)12(19)17-10/h2-4,15H,5-6H2,1H3,(H,14,18)(H,16,17,19)/p+1.
What are the key properties of (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium?
(7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium has a molecular weight of 281.72 g/mol, XLogP of -0.61, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-4-oxo-3H-quinazolin-2-yl)methyl-[2-(methylamino)-2-oxoethyl]azanium is sourced from PubChem (CID 135751172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).