2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide

C19H19BrN4O3 — CID 137268380

IUPAC2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCCCNc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C19H19BrN4O3/c1-27-12-7-8-15(20)14(11-12)17(25)21-9-4-10-22-19-23-16-6-3-2-5-13(16)18(26)24-19/h2-3,5-8,11H,4,9-10H2,1H3,(H,21,25)(H2,22,23,24,26)
InChIKeyOUEWGSFRKZVQTL-UHFFFAOYSA-N
MW431.29 g/mol
LogP2.93
Rot. Bonds7

About 2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide

2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide (PubChem CID 137268380) has the molecular formula C19H19BrN4O3 and a molecular weight of 431.29 g/mol. Its IUPAC name is 2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide.

Molecular Properties

Compound Name2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide
PubChem CID137268380
Molecular FormulaC19H19BrN4O3
Molecular Weight431.29 g/mol
Exact Mass430.06
IUPAC Name2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide
SMILESCOc1ccc(Br)c(C(=O)NCCCNc2nc3ccccc3c(=O)[nH]2)c1
InChIInChI=1S/C19H19BrN4O3/c1-27-12-7-8-15(20)14(11-12)17(25)21-9-4-10-22-19-23-16-6-3-2-5-13(16)18(26)24-19/h2-3,5-8,11H,4,9-10H2,1H3,(H,21,25)(H2,22,23,24,26)
InChIKeyOUEWGSFRKZVQTL-UHFFFAOYSA-N
XLogP2.93
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.29
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(6-methoxy-4-oxo-3H-quinazolin-2-yl)amino]propyl]-2-(triazol-2-yl)benzamide
CID 145233989
N-[3-[(2-bromobenzoyl)amino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658213
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide
CID 43600621
2-(5-methoxypentylamino)-3H-quinazolin-4-one
CID 137264454
2-bromo-5-methoxy-N-[3-(methylamino)propyl]benzamide;hydrochloride
CID 119429716
3-[(2-bromo-5-methoxybenzoyl)amino]propanoic acid
CID 24706938
4-methoxy-N-[2-(4-oxo-3H-quinazolin-2-yl)ethyl]benzamide
CID 136767880
N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135638515
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-oxo-3H-quinazolin-2-yl)methylamino]benzamide
CID 135953948
N-[3-[(4-methoxybenzoyl)-methylamino]propyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135629300
2-bromo-N-(4-chlorobutyl)-5-methoxybenzamide
CID 106845438
2-bromo-N-(6-bromohexyl)-5-methoxybenzamide
CID 107847455

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide?
The IUPAC name of 2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide (CID 137268380) is 2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide.
What is the SMILES notation for 2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide?
The canonical SMILES for 2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide is COc1ccc(Br)c(C(=O)NCCCNc2nc3ccccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide?
The InChIKey is OUEWGSFRKZVQTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN4O3/c1-27-12-7-8-15(20)14(11-12)17(25)21-9-4-10-22-19-23-16-6-3-2-5-13(16)18(26)24-19/h2-3,5-8,11H,4,9-10H2,1H3,(H,21,25)(H2,22,23,24,26).
What are the key properties of 2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide?
2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide has a molecular weight of 431.29 g/mol, XLogP of 2.93, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methoxy-N-[3-[(4-oxo-3H-quinazolin-2-yl)amino]propyl]benzamide is sourced from PubChem (CID 137268380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).