1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

C23H26N2O3 — CID 94086752

IUPAC1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCc1cccc(C(=O)N2CCCc3cc(C(=O)NC[C@H]4CCCO4)ccc32)c1
InChIInChI=1S/C23H26N2O3/c1-16-5-2-6-19(13-16)23(27)25-11-3-7-17-14-18(9-10-21(17)25)22(26)24-15-20-8-4-12-28-20/h2,5-6,9-10,13-14,20H,3-4,7-8,11-12,15H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyJGUDMDNRTZDMSM-HXUWFJFHSA-N
MW378.47 g/mol
LogP3.50
Rot. Bonds4

About 1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide

1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (PubChem CID 94086752) has the molecular formula C23H26N2O3 and a molecular weight of 378.47 g/mol. Its IUPAC name is 1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.

Molecular Properties

Compound Name1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
PubChem CID94086752
Molecular FormulaC23H26N2O3
Molecular Weight378.47 g/mol
Exact Mass378.19
IUPAC Name1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide
SMILESCc1cccc(C(=O)N2CCCc3cc(C(=O)NC[C@H]4CCCO4)ccc32)c1
InChIInChI=1S/C23H26N2O3/c1-16-5-2-6-19(13-16)23(27)25-11-3-7-17-14-18(9-10-21(17)25)22(26)24-15-20-8-4-12-28-20/h2,5-6,9-10,13-14,20H,3-4,7-8,11-12,15H2,1H3,(H,24,26)/t20-/m1/s1
InChIKeyJGUDMDNRTZDMSM-HXUWFJFHSA-N
XLogP3.50
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.47
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-N-[4-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17205629
3-methyl-N-[3-(oxolan-2-ylmethylcarbamoyl)phenyl]benzamide
CID 17362725
1-(4-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 29148959
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
3-methyl-N-[4-[[2-[3-(oxolan-2-ylmethylcarbamoyl)anilino]acetyl]amino]phenyl]benzamide
CID 54837105
4-amino-3-methyl-N-(oxolan-2-ylmethyl)benzamide
CID 16789376
2-[(3-methylbenzoyl)amino]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 7378718
N-(oxolan-2-ylmethyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 47191359
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
3,5-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 912572
3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 669434
3-methyl-N-[4-(oxolan-2-ylmethylamino)phenyl]benzamide
CID 112981171

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The IUPAC name of 1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide (CID 94086752) is 1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide.
What is the SMILES notation for 1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The canonical SMILES for 1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is Cc1cccc(C(=O)N2CCCc3cc(C(=O)NC[C@H]4CCCO4)ccc32)c1.
What is the InChIKey of 1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
The InChIKey is JGUDMDNRTZDMSM-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N2O3/c1-16-5-2-6-19(13-16)23(27)25-11-3-7-17-14-18(9-10-21(17)25)22(26)24-15-20-8-4-12-28-20/h2,5-6,9-10,13-14,20H,3-4,7-8,11-12,15H2,1H3,(H,24,26)/t20-/m1/s1.
What are the key properties of 1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide?
1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide has a molecular weight of 378.47 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbenzoyl)-N-[[(2R)-oxolan-2-yl]methyl]-3,4-dihydro-2H-quinoline-6-carboxamide is sourced from PubChem (CID 94086752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).