N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide

C22H21N3O3 — CID 6723057

IUPACN-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)[C@H](CO)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C22H21N3O3/c26-14-19(25-21(28)22(10-11-22)16-6-2-1-3-7-16)20(27)24-17-8-9-18-15(13-17)5-4-12-23-18/h1-9,12-13,19,26H,10-11,14H2,(H,24,27)(H,25,28)/t19-/m0/s1
InChIKeyCEKPWJZFNDSJDU-IBGZPJMESA-N
MW375.43 g/mol
LogP2.38
Rot. Bonds6

About N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide

N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide (PubChem CID 6723057) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide
PubChem CID6723057
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC NameN-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccc2ncccc2c1)[C@H](CO)NC(=O)C1(c2ccccc2)CC1
InChIInChI=1S/C22H21N3O3/c26-14-19(25-21(28)22(10-11-22)16-6-2-1-3-7-16)20(27)24-17-8-9-18-15(13-17)5-4-12-23-18/h1-9,12-13,19,26H,10-11,14H2,(H,24,27)(H,25,28)/t19-/m0/s1
InChIKeyCEKPWJZFNDSJDU-IBGZPJMESA-N
XLogP2.38
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]quinoxaline-2-carboxamide
CID 6723510
N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]pyrazine-2-carboxamide
CID 3652353
6-hydroxy-N-[3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-2,5,7,8-tetramethyl-3,4-dihydrochromene-2-carboxamide
CID 4075296
N-[(2S)-3-hydroxy-1-oxo-1-[(5-phenyl-1H-pyrazol-3-yl)amino]propan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 6723090
2,3-dimethyl-4-oxo-4-(quinolin-6-ylamino)butanoic acid
CID 103498293
cis-(1R,3S)-5-[[1-oxo-3-phenyl-1-(quinolin-6-ylamino)propan-2-yl]carbamoyl]cyclohexane-1,3-dicarboxylic acid
CID 143048099
(7S)-7-benzamido-8-oxo-8-(quinolin-6-ylamino)octanoic acid
CID 58840912
N-quinolin-6-ylbenzamide
CID 833617
N,N'-di(quinolin-6-yl)propanediamide
CID 2837594
4-(3-fluorophenyl)-N-quinolin-6-yloxane-4-carboxamide
CID 60582036
1-phenyl-N-quinoxalin-6-ylcyclopentane-1-carboxamide
CID 112845764
N-[1-(cyclooctylamino)-3-hydroxy-1-oxopropan-2-yl]-1-phenylcyclopentane-1-carboxamide
CID 4243741

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide?
The IUPAC name of N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide (CID 6723057) is N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide?
The canonical SMILES for N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide is O=C(Nc1ccc2ncccc2c1)[C@H](CO)NC(=O)C1(c2ccccc2)CC1.
What is the InChIKey of N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide?
The InChIKey is CEKPWJZFNDSJDU-IBGZPJMESA-N. The full InChI is InChI=1S/C22H21N3O3/c26-14-19(25-21(28)22(10-11-22)16-6-2-1-3-7-16)20(27)24-17-8-9-18-15(13-17)5-4-12-23-18/h1-9,12-13,19,26H,10-11,14H2,(H,24,27)(H,25,28)/t19-/m0/s1.
What are the key properties of N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide?
N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 2.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-3-hydroxy-1-oxo-1-(quinolin-6-ylamino)propan-2-yl]-1-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 6723057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).