2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride

C19H29ClN4O4 — CID 137132797

IUPAC2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1.Cl
InChIInChI=1S/C19H28N4O4.ClH/c1-6-8-19(3,20)18(25)23(7-2)11-16-21-13-10-15(27-5)14(26-4)9-12(13)17(24)22-16;/h9-10H,6-8,11,20H2,1-5H3,(H,21,22,24);1H
InChIKeyCMLZRNFXBNCYNM-UHFFFAOYSA-N
MW412.92 g/mol
LogP2.23
Rot. Bonds8

About 2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride

2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride (PubChem CID 137132797) has the molecular formula C19H29ClN4O4 and a molecular weight of 412.92 g/mol. Its IUPAC name is 2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride
PubChem CID137132797
Molecular FormulaC19H29ClN4O4
Molecular Weight412.92 g/mol
Exact Mass412.19
IUPAC Name2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride
SMILESCCCC(C)(N)C(=O)N(CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1.Cl
InChIInChI=1S/C19H28N4O4.ClH/c1-6-8-19(3,20)18(25)23(7-2)11-16-21-13-10-15(27-5)14(26-4)9-12(13)17(24)22-16;/h9-10H,6-8,11,20H2,1-5H3,(H,21,22,24);1H
InChIKeyCMLZRNFXBNCYNM-UHFFFAOYSA-N
XLogP2.23
TPSA110.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.92
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride with MolForge

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Related Compounds

(2S)-2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-methylbutanamide
CID 137132828
(E)-3-(3,5-dichlorophenyl)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylprop-2-enamide
CID 135971136
2-[[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl-ethylamino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135519701
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-3-(4-ethylphenyl)propanamide
CID 135820936
4-acetyl-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-1H-pyrrole-2-carboxamide
CID 135702726
2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-phenylacetamide
CID 137156480
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide;hydrochloride
CID 137132799
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylpyrrolidine-2-carboxamide
CID 137132800
(2R)-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethylmorpholine-2-carboxamide
CID 137071630
N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-4-(2-methylpropyl)benzamide
CID 135820924
2-[[ethyl(pyrimidin-2-yl)amino]methyl]-6,7-dimethoxy-3H-quinazolin-4-one
CID 135697707
1-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-1-ethyl-3-(4-fluorophenyl)thiourea
CID 135789372

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride?
The IUPAC name of 2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride (CID 137132797) is 2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride is CCCC(C)(N)C(=O)N(CC)Cc1nc2cc(OC)c(OC)cc2c(=O)[nH]1.Cl.
What is the InChIKey of 2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride?
The InChIKey is CMLZRNFXBNCYNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O4.ClH/c1-6-8-19(3,20)18(25)23(7-2)11-16-21-13-10-15(27-5)14(26-4)9-12(13)17(24)22-16;/h9-10H,6-8,11,20H2,1-5H3,(H,21,22,24);1H.
What are the key properties of 2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride?
2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride has a molecular weight of 412.92 g/mol, XLogP of 2.23, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(6,7-dimethoxy-4-oxo-3H-quinazolin-2-yl)methyl]-N-ethyl-2-methylpentanamide;hydrochloride is sourced from PubChem (CID 137132797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).