(2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide

C18H17N3O — CID 90046746

IUPAC(2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide
SMILESNC(=O)[C@H](Cc1ccccc1)Nc1ccnc2ccccc12
InChIInChI=1S/C18H17N3O/c19-18(22)17(12-13-6-2-1-3-7-13)21-16-10-11-20-15-9-5-4-8-14(15)16/h1-11,17H,12H2,(H2,19,22)(H,20,21)/t17-/m0/s1
InChIKeyMJDWVDMGDYODNX-KRWDZBQOSA-N
MW291.35 g/mol
LogP2.74
Rot. Bonds5

About (2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide

(2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide (PubChem CID 90046746) has the molecular formula C18H17N3O and a molecular weight of 291.35 g/mol. Its IUPAC name is (2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide.

Molecular Properties

Compound Name(2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide
PubChem CID90046746
Molecular FormulaC18H17N3O
Molecular Weight291.35 g/mol
Exact Mass291.14
IUPAC Name(2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide
SMILESNC(=O)[C@H](Cc1ccccc1)Nc1ccnc2ccccc12
InChIInChI=1S/C18H17N3O/c19-18(22)17(12-13-6-2-1-3-7-13)21-16-10-11-20-15-9-5-4-8-14(15)16/h1-11,17H,12H2,(H2,19,22)(H,20,21)/t17-/m0/s1
InChIKeyMJDWVDMGDYODNX-KRWDZBQOSA-N
XLogP2.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-3-phenyl-2-[[(Z)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide
CID 98525818
3-phenyl-2-[[(E)-3-quinolin-4-ylprop-2-enoyl]amino]propanamide
CID 75512130
3-(quinolin-4-ylamino)butanamide
CID 115685011
5-methoxy-2-(quinolin-4-ylamino)pentanoic acid
CID 81078422
(2S)-3-phenyl-2-[2-(quinoline-4-carbonyl)hydrazinyl]propanoic acid
CID 142645779
2-methyl-3-(quinolin-4-ylamino)propanoic acid
CID 62676263
(2R)-2-[(5-bromopyrimidin-2-yl)amino]-3-phenylpropanamide
CID 97327412
4-[[(2S)-1-amino-1-oxo-3-quinolin-4-ylpropan-2-yl]amino]-4-oxobutanoic acid
CID 170256566
6-[(1-amino-1-oxobutan-2-yl)amino]-5-fluoro-2-(quinolin-4-ylamino)pyridine-3-carboxamide
CID 67775101
3-phenyl-2-(quinazolin-4-ylamino)propanoate
CID 3679551
(2R)-2-(acridin-9-ylamino)-3-phenylpropanoic acid
CID 7723199
2-amino-3-phenyl-1-quinolin-5-ylpropan-1-one
CID 116552536

Frequently Asked Questions

What is the IUPAC name of (2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide?
The IUPAC name of (2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide (CID 90046746) is (2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide.
What is the SMILES notation for (2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide?
The canonical SMILES for (2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide is NC(=O)[C@H](Cc1ccccc1)Nc1ccnc2ccccc12.
What is the InChIKey of (2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide?
The InChIKey is MJDWVDMGDYODNX-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H17N3O/c19-18(22)17(12-13-6-2-1-3-7-13)21-16-10-11-20-15-9-5-4-8-14(15)16/h1-11,17H,12H2,(H2,19,22)(H,20,21)/t17-/m0/s1.
What are the key properties of (2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide?
(2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide has a molecular weight of 291.35 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-phenyl-2-(quinolin-4-ylamino)propanamide is sourced from PubChem (CID 90046746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).