(4S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide

C19H18N4O2 — CID 126453695

IUPAC(4S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)NCc2ccc3nc[nH]c3c2)c2ccccc21
InChIInChI=1S/C19H18N4O2/c1-23-17-5-3-2-4-13(17)14(9-18(23)24)19(25)20-10-12-6-7-15-16(8-12)22-11-21-15/h2-8,11,14H,9-10H2,1H3,(H,20,25)(H,21,22)/t14-/m0/s1
InChIKeyGDPLFVNNEXBRIN-AWEZNQCLSA-N
MW334.38 g/mol
LogP2.33
Rot. Bonds3

About (4S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide

(4S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide (PubChem CID 126453695) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is (4S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide.

Molecular Properties

Compound Name(4S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
PubChem CID126453695
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name(4S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
SMILESCN1C(=O)C[C@H](C(=O)NCc2ccc3nc[nH]c3c2)c2ccccc21
InChIInChI=1S/C19H18N4O2/c1-23-17-5-3-2-4-13(17)14(9-18(23)24)19(25)20-10-12-6-7-15-16(8-12)22-11-21-15/h2-8,11,14H,9-10H2,1H3,(H,20,25)(H,21,22)/t14-/m0/s1
InChIKeyGDPLFVNNEXBRIN-AWEZNQCLSA-N
XLogP2.33
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 126431332
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CID 155492188
N-[[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl]-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide
CID 166409693
N-(3H-benzimidazol-5-ylmethyl)-2-morpholin-4-ylbenzamide
CID 131920003
N-(3H-benzimidazol-5-ylmethyl)-1-methylsulfonylpiperidine-4-carboxamide
CID 110785482
N-(3H-benzimidazol-5-ylmethyl)carbamoyl chloride
CID 115194686
N-(3H-benzimidazol-5-ylmethyl)-2-[(2R)-1-methylpiperidin-2-yl]acetamide
CID 126451275
N-(3H-benzimidazol-5-ylmethyl)piperidine-2-carboxamide
CID 110482372
2-(3H-benzimidazol-5-yl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 110772518
1-methyl-2-oxo-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-3,4-dihydroquinoline-4-carboxamide
CID 146139808
N-(3H-benzimidazol-5-ylmethyl)-2-chloroacetamide
CID 146094481
2-amino-N-(3H-benzimidazol-5-ylmethyl)acetamide
CID 82491860

Frequently Asked Questions

What is the IUPAC name of (4S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The IUPAC name of (4S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide (CID 126453695) is (4S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide.
What is the SMILES notation for (4S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The canonical SMILES for (4S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide is CN1C(=O)C[C@H](C(=O)NCc2ccc3nc[nH]c3c2)c2ccccc21.
What is the InChIKey of (4S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
The InChIKey is GDPLFVNNEXBRIN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-23-17-5-3-2-4-13(17)14(9-18(23)24)19(25)20-10-12-6-7-15-16(8-12)22-11-21-15/h2-8,11,14H,9-10H2,1H3,(H,20,25)(H,21,22)/t14-/m0/s1.
What are the key properties of (4S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide?
(4S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide has a molecular weight of 334.38 g/mol, XLogP of 2.33, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-N-(3H-benzimidazol-5-ylmethyl)-1-methyl-2-oxo-3,4-dihydroquinoline-4-carboxamide is sourced from PubChem (CID 126453695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).