N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

C17H24N2O2 — CID 30211328

IUPACN-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
SMILESCC(C)[C@H](C)NC(=O)CC[C@@H]1Cc2ccccc2NC1=O
InChIInChI=1S/C17H24N2O2/c1-11(2)12(3)18-16(20)9-8-14-10-13-6-4-5-7-15(13)19-17(14)21/h4-7,11-12,14H,8-10H2,1-3H3,(H,18,20)(H,19,21)/t12-,14+/m0/s1
InChIKeyZBPCNWKSVNGYBE-GXTWGEPZSA-N
MW288.39 g/mol
LogP2.74
Rot. Bonds5

About N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide

N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (PubChem CID 30211328) has the molecular formula C17H24N2O2 and a molecular weight of 288.39 g/mol. Its IUPAC name is N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.

Molecular Properties

Compound NameN-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
PubChem CID30211328
Molecular FormulaC17H24N2O2
Molecular Weight288.39 g/mol
Exact Mass288.18
IUPAC NameN-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide
SMILESCC(C)[C@H](C)NC(=O)CC[C@@H]1Cc2ccccc2NC1=O
InChIInChI=1S/C17H24N2O2/c1-11(2)12(3)18-16(20)9-8-14-10-13-6-4-5-7-15(13)19-17(14)21/h4-7,11-12,14H,8-10H2,1-3H3,(H,18,20)(H,19,21)/t12-,14+/m0/s1
InChIKeyZBPCNWKSVNGYBE-GXTWGEPZSA-N
XLogP2.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The IUPAC name of N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide (CID 30211328) is N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide.
What is the SMILES notation for N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The canonical SMILES for N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is CC(C)[C@H](C)NC(=O)CC[C@@H]1Cc2ccccc2NC1=O.
What is the InChIKey of N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
The InChIKey is ZBPCNWKSVNGYBE-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H24N2O2/c1-11(2)12(3)18-16(20)9-8-14-10-13-6-4-5-7-15(13)19-17(14)21/h4-7,11-12,14H,8-10H2,1-3H3,(H,18,20)(H,19,21)/t12-,14+/m0/s1.
What are the key properties of N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide?
N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide has a molecular weight of 288.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-methylbutan-2-yl]-3-[(3R)-2-oxo-3,4-dihydro-1H-quinolin-3-yl]propanamide is sourced from PubChem (CID 30211328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).