(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide

C21H18N4O3 — CID 71825572

IUPAC(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide
SMILESCOc1ccc2cc(NC(=O)[C@@H](C)n3cnc4ccccc4c3=O)cnc2c1
InChIInChI=1S/C21H18N4O3/c1-13(25-12-23-18-6-4-3-5-17(18)21(25)27)20(26)24-15-9-14-7-8-16(28-2)10-19(14)22-11-15/h3-13H,1-2H3,(H,24,26)/t13-/m1/s1
InChIKeyHKKQFNKUEWSBRB-CYBMUJFWSA-N
MW374.40 g/mol
LogP3.15
Rot. Bonds4

About (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide

(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide (PubChem CID 71825572) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide
PubChem CID71825572
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC Name(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide
SMILESCOc1ccc2cc(NC(=O)[C@@H](C)n3cnc4ccccc4c3=O)cnc2c1
InChIInChI=1S/C21H18N4O3/c1-13(25-12-23-18-6-4-3-5-17(18)21(25)27)20(26)24-15-9-14-7-8-16(28-2)10-19(14)22-11-15/h3-13H,1-2H3,(H,24,26)/t13-/m1/s1
InChIKeyHKKQFNKUEWSBRB-CYBMUJFWSA-N
XLogP3.15
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3-methoxyphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 2918932
(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxo-1,2,3-benzotriazin-3-yl)propanamide
CID 97266945
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 3150564
N-(7-methoxyquinolin-3-yl)-2-naphthalen-1-yloxypropanamide
CID 110279383
(2S)-N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 1323660
(2S)-N-(3-bromophenyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 7581019
(2R)-N-(7-methoxyquinolin-3-yl)-2-(5-methylpyrazol-1-yl)propanamide
CID 95744977
2-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(7-methoxyquinolin-3-yl)propanamide
CID 110279376
N-(1,3-benzothiazol-2-yl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 4907134
(2R)-N-(3-methoxyphenyl)-2-(1-oxophthalazin-2-yl)propanamide
CID 95118182
(2S)-2-(4-oxoquinazolin-3-yl)propanoic acid
CID 771110
ethyl 4-methyl-2-[[(2R)-2-(4-oxoquinazolin-3-yl)propanoyl]amino]-1,3-thiazole-5-carboxylate
CID 71827680

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide (CID 71825572) is (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide is COc1ccc2cc(NC(=O)[C@@H](C)n3cnc4ccccc4c3=O)cnc2c1.
What is the InChIKey of (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide?
The InChIKey is HKKQFNKUEWSBRB-CYBMUJFWSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13(25-12-23-18-6-4-3-5-17(18)21(25)27)20(26)24-15-9-14-7-8-16(28-2)10-19(14)22-11-15/h3-13H,1-2H3,(H,24,26)/t13-/m1/s1.
What are the key properties of (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide?
(2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide has a molecular weight of 374.40 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(7-methoxyquinolin-3-yl)-2-(4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 71825572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).