N-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

C22H20N2O4 — CID 26262533

IUPACN-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
SMILESCc1cc(=O)oc2cc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)ccc12
InChIInChI=1S/C22H20N2O4/c1-13-10-21(26)28-19-12-16(7-8-17(13)19)23-20(25)9-6-15-11-14-4-2-3-5-18(14)24-22(15)27/h2-5,7-8,10,12,15H,6,9,11H2,1H3,(H,23,25)(H,24,27)/t15-/m0/s1
InChIKeyMQTZLQQPICCHBX-HNNXBMFYSA-N
MW376.41 g/mol
LogP3.63
Rot. Bonds4

About N-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

N-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (PubChem CID 26262533) has the molecular formula C22H20N2O4 and a molecular weight of 376.41 g/mol. Its IUPAC name is N-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
PubChem CID26262533
Molecular FormulaC22H20N2O4
Molecular Weight376.41 g/mol
Exact Mass376.14
IUPAC NameN-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
SMILESCc1cc(=O)oc2cc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)ccc12
InChIInChI=1S/C22H20N2O4/c1-13-10-21(26)28-19-12-16(7-8-17(13)19)23-20(25)9-6-15-11-14-4-2-3-5-18(14)24-22(15)27/h2-5,7-8,10,12,15H,6,9,11H2,1H3,(H,23,25)(H,24,27)/t15-/m0/s1
InChIKeyMQTZLQQPICCHBX-HNNXBMFYSA-N
XLogP3.63
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26026495
N-(3-fluoro-4-methylphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 42933936
3-cyclopentyl-N-(4-methyl-2-oxochromen-7-yl)propanamide
CID 26878521
N-(3-benzyl-4-methoxyphenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 18270721
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 134051540
N-(3-chloro-4-fluorophenyl)-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26062216
2-[2-fluoro-4-[3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanoylamino]phenyl]acetic acid
CID 122110056
N-(3-methoxyphenyl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 51537746
3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-(4-propylphenyl)propanamide
CID 31306923
N-[4-chloro-3-(trifluoromethyl)phenyl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
CID 26262421
N-(5-acetamido-2-fluorophenyl)-3-(2-oxo-3,4-dihydro-1H-quinolin-3-yl)propanamide
CID 24673978
3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide
CID 51862890

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The IUPAC name of N-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (CID 26262533) is N-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.
What is the SMILES notation for N-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The canonical SMILES for N-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is Cc1cc(=O)oc2cc(NC(=O)CC[C@H]3Cc4ccccc4NC3=O)ccc12.
What is the InChIKey of N-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The InChIKey is MQTZLQQPICCHBX-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H20N2O4/c1-13-10-21(26)28-19-12-16(7-8-17(13)19)23-20(25)9-6-15-11-14-4-2-3-5-18(14)24-22(15)27/h2-5,7-8,10,12,15H,6,9,11H2,1H3,(H,23,25)(H,24,27)/t15-/m0/s1.
What are the key properties of N-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
N-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide has a molecular weight of 376.41 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxochromen-7-yl)-3-[(3S)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is sourced from PubChem (CID 26262533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).