N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide

C20H18ClN3O3 — CID 6667383

IUPACN-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)NCc1ccc(Cl)cc1)c1ccnc2ccccc12
InChIInChI=1S/C20H18ClN3O3/c21-14-7-5-13(6-8-14)11-23-20(27)18(12-25)24-19(26)16-9-10-22-17-4-2-1-3-15(16)17/h1-10,18,25H,11-12H2,(H,23,27)(H,24,26)/t18-/m0/s1
InChIKeyRXMVCRDUPNZJCY-SFHVURJKSA-N
MW383.84 g/mol
LogP2.30
Rot. Bonds6

About N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide

N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide (PubChem CID 6667383) has the molecular formula C20H18ClN3O3 and a molecular weight of 383.84 g/mol. Its IUPAC name is N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide
PubChem CID6667383
Molecular FormulaC20H18ClN3O3
Molecular Weight383.84 g/mol
Exact Mass383.10
IUPAC NameN-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide
SMILESO=C(N[C@@H](CO)C(=O)NCc1ccc(Cl)cc1)c1ccnc2ccccc12
InChIInChI=1S/C20H18ClN3O3/c21-14-7-5-13(6-8-14)11-23-20(27)18(12-25)24-19(26)16-9-10-22-17-4-2-1-3-15(16)17/h1-10,18,25H,11-12H2,(H,23,27)(H,24,26)/t18-/m0/s1
InChIKeyRXMVCRDUPNZJCY-SFHVURJKSA-N
XLogP2.30
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.84
LogP ≤ 52.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]pyrazine-2-carboxamide
CID 6724624
(2S)-N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-phenylacetyl)amino]propanamide
CID 6667382
N-[3,4-bis(4-chlorophenyl)butan-2-yl]quinoline-4-carboxamide
CID 10288329
N-[(4-chlorophenyl)methyl]-3-hydroxy-2-[(2-naphthalen-1-ylacetyl)amino]propanamide
CID 4575001
N-[1-(4,5-dihydro-1,3-thiazol-2-ylamino)-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide
CID 3460373
N-[1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 5130421
N-pentan-3-ylquinoline-4-carboxamide
CID 78813506
N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]quinoline-4-carboxamide
CID 3276520
methyl 3-hydroxy-2-(quinoline-5-carbonylamino)propanoate
CID 43422482
N-[1-[(4-chlorophenyl)methylamino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 43010106
3-(quinoline-4-carbonylamino)butanoic acid
CID 81455717
[1-(benzylamino)-3-hydroxy-1-oxopropan-2-yl]carbamic acid
CID 77465110

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide?
The IUPAC name of N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide (CID 6667383) is N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide.
What is the SMILES notation for N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide?
The canonical SMILES for N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide is O=C(N[C@@H](CO)C(=O)NCc1ccc(Cl)cc1)c1ccnc2ccccc12.
What is the InChIKey of N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide?
The InChIKey is RXMVCRDUPNZJCY-SFHVURJKSA-N. The full InChI is InChI=1S/C20H18ClN3O3/c21-14-7-5-13(6-8-14)11-23-20(27)18(12-25)24-19(26)16-9-10-22-17-4-2-1-3-15(16)17/h1-10,18,25H,11-12H2,(H,23,27)(H,24,26)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide?
N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide has a molecular weight of 383.84 g/mol, XLogP of 2.30, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[(4-chlorophenyl)methylamino]-3-hydroxy-1-oxopropan-2-yl]quinoline-4-carboxamide is sourced from PubChem (CID 6667383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).