N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide

C18H15N3O2 — CID 51492407

IUPACN-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide
SMILESNC(=O)[C@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C18H15N3O2/c19-17(22)16(13-7-2-1-3-8-13)21-18(23)15-11-10-12-6-4-5-9-14(12)20-15/h1-11,16H,(H2,19,22)(H,21,23)/t16-/m1/s1
InChIKeyRGENVJKZYCCGCE-MRXNPFEDSA-N
MW305.34 g/mol
LogP2.19
Rot. Bonds4

About N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide

N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide (PubChem CID 51492407) has the molecular formula C18H15N3O2 and a molecular weight of 305.34 g/mol. Its IUPAC name is N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide
PubChem CID51492407
Molecular FormulaC18H15N3O2
Molecular Weight305.34 g/mol
Exact Mass305.12
IUPAC NameN-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide
SMILESNC(=O)[C@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1
InChIInChI=1S/C18H15N3O2/c19-17(22)16(13-7-2-1-3-8-13)21-18(23)15-11-10-12-6-4-5-9-14(12)20-15/h1-11,16H,(H2,19,22)(H,21,23)/t16-/m1/s1
InChIKeyRGENVJKZYCCGCE-MRXNPFEDSA-N
XLogP2.19
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.34
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-2-amino-2-oxo-1-phenylethyl]pyridine-2-carboxamide
CID 94572874
N-[2-[[2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[[1-(diaminomethylideneamino)-2-[(1,2-diamino-2-oxoethyl)amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxoethyl]amino]-2-oxo-1-phenylethyl]amino]-1-hydroxy-2-oxoethyl]quinoline-2-carboxamide
CID 59385824
N-[(1R)-1-[4-(carbamoylamino)phenyl]ethyl]quinoline-2-carboxamide
CID 94066121
N-[(1S)-1-pyridin-4-ylethyl]quinoline-2-carboxamide
CID 30479872
N-[2-(3-chloroanilino)-1-(4-chlorophenyl)-2-oxoethyl]quinoline-2-carboxamide
CID 23796306
N-(5-methylhexan-2-yl)quinoline-2-carboxamide
CID 24554913
N-[3-(dipropylamino)-1-phenylpropyl]quinoline-2-carboxamide
CID 21297679
N-(2-phenylbutyl)quinoline-2-carboxamide
CID 46635493
(2S)-2-(quinoline-2-carbonylamino)pentanoic acid
CID 107564261
N-(2-amino-2-oxo-1-phenylethyl)-1-phenyltriazole-4-carboxamide
CID 56811941
quinoline-2-carboxamide;hydrobromide
CID 141009871
N-(2-amino-2-oxoethoxy)quinoline-2-carboxamide
CID 112550703

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide?
The IUPAC name of N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide (CID 51492407) is N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide?
The canonical SMILES for N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide is NC(=O)[C@H](NC(=O)c1ccc2ccccc2n1)c1ccccc1.
What is the InChIKey of N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide?
The InChIKey is RGENVJKZYCCGCE-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15N3O2/c19-17(22)16(13-7-2-1-3-8-13)21-18(23)15-11-10-12-6-4-5-9-14(12)20-15/h1-11,16H,(H2,19,22)(H,21,23)/t16-/m1/s1.
What are the key properties of N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide?
N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide has a molecular weight of 305.34 g/mol, XLogP of 2.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-amino-2-oxo-1-phenylethyl]quinoline-2-carboxamide is sourced from PubChem (CID 51492407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).