1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

C20H18N4O2 — CID 122137446

IUPAC1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
SMILESCN1CCC(=O)Nc2cc(C(=O)Nc3cccc4ncccc34)ccc21
InChIInChI=1S/C20H18N4O2/c1-24-11-9-19(25)22-17-12-13(7-8-18(17)24)20(26)23-16-6-2-5-15-14(16)4-3-10-21-15/h2-8,10,12H,9,11H2,1H3,(H,22,25)(H,23,26)
InChIKeyBZRLJMWUTZFSIP-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.27
Rot. Bonds2

About 1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide

1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide (PubChem CID 122137446) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide.

Molecular Properties

Compound Name1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
PubChem CID122137446
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
SMILESCN1CCC(=O)Nc2cc(C(=O)Nc3cccc4ncccc34)ccc21
InChIInChI=1S/C20H18N4O2/c1-24-11-9-19(25)22-17-12-13(7-8-18(17)24)20(26)23-16-6-2-5-15-14(16)4-3-10-21-15/h2-8,10,12H,9,11H2,1H3,(H,22,25)(H,23,26)
InChIKeyBZRLJMWUTZFSIP-UHFFFAOYSA-N
XLogP3.27
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide with MolForge

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Related Compounds

1-methyl-N-[2-(methylamino)propyl]-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 120830743
2,3-dimethyl-N-quinolin-5-ylquinoxaline-6-carboxamide
CID 51205597
1-methyl-3-oxo-N-[2-(2-oxopyrrolidin-1-yl)phenyl]-2,4-dihydroquinoxaline-6-carboxamide
CID 55864837
4-(methylamino)-N-quinolin-5-ylbenzamide
CID 62187273
3-chloro-N-quinolin-5-ylbenzamide
CID 5127132
N-(3-aminopropyl)-1-methyl-4-oxo-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide
CID 119407918
4-(1-methylpiperidin-4-yl)-N-quinolin-5-yl-3-(trifluoromethyl)benzamide
CID 171471692
2-bromo-N-quinolin-5-ylpyridine-4-carboxamide
CID 103751909
4-methylsulfinyl-N-quinolin-5-ylbenzamide
CID 51182481
5-(quinolin-5-ylcarbamoyl)furan-3-carboxylic acid
CID 104607003
2,6-dichloro-N-quinolin-5-ylpyridine-4-carboxamide
CID 2782162
4-(bromomethyl)-N-quinolin-5-ylbenzamide
CID 102850797

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide?
The IUPAC name of 1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide (CID 122137446) is 1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide.
What is the SMILES notation for 1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide?
The canonical SMILES for 1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide is CN1CCC(=O)Nc2cc(C(=O)Nc3cccc4ncccc34)ccc21.
What is the InChIKey of 1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide?
The InChIKey is BZRLJMWUTZFSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-24-11-9-19(25)22-17-12-13(7-8-18(17)24)20(26)23-16-6-2-5-15-14(16)4-3-10-21-15/h2-8,10,12H,9,11H2,1H3,(H,22,25)(H,23,26).
What are the key properties of 1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide?
1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.27, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-oxo-N-quinolin-5-yl-3,5-dihydro-2H-1,5-benzodiazepine-7-carboxamide is sourced from PubChem (CID 122137446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).