(2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide

C23H25N3O3 — CID 97259995

IUPAC(2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide
SMILESCCc1cc(=O)c2cc(NC(=O)[C@@H]3CN(Cc4ccccc4)CCO3)ccc2[nH]1
InChIInChI=1S/C23H25N3O3/c1-2-17-13-21(27)19-12-18(8-9-20(19)24-17)25-23(28)22-15-26(10-11-29-22)14-16-6-4-3-5-7-16/h3-9,12-13,22H,2,10-11,14-15H2,1H3,(H,24,27)(H,25,28)/t22-/m0/s1
InChIKeyQWOZOWRGHJOMKF-QFIPXVFZSA-N
MW391.47 g/mol
LogP2.93
Rot. Bonds5

About (2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide

(2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide (PubChem CID 97259995) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is (2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide.

Molecular Properties

Compound Name(2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide
PubChem CID97259995
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Name(2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide
SMILESCCc1cc(=O)c2cc(NC(=O)[C@@H]3CN(Cc4ccccc4)CCO3)ccc2[nH]1
InChIInChI=1S/C23H25N3O3/c1-2-17-13-21(27)19-12-18(8-9-20(19)24-17)25-23(28)22-15-26(10-11-29-22)14-16-6-4-3-5-7-16/h3-9,12-13,22H,2,10-11,14-15H2,1H3,(H,24,27)(H,25,28)/t22-/m0/s1
InChIKeyQWOZOWRGHJOMKF-QFIPXVFZSA-N
XLogP2.93
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-4-benzyl-N-[(3-ethyl-1H-pyrazol-5-yl)methyl]morpholine-2-carboxamide
CID 95775991
N-(2-ethyl-4-oxo-1H-quinolin-6-yl)-2-phenylsulfanylacetamide
CID 75401152
4-benzyl-N-(5,6-difluoro-1H-indol-3-yl)morpholine-2-carboxamide
CID 162705279
(2S)-4-benzyl-N-[2-[(3-methoxyphenyl)carbamoyl]phenyl]morpholine-2-carboxamide
CID 95775872
N-phenyl-4-[(2-propan-2-ylpyrimidin-5-yl)methyl]morpholine-2-carboxamide
CID 110246611
(2S)-4-benzyl-N-[4-[(2S)-3-(dimethylamino)-2-hydroxypropoxy]phenyl]morpholine-2-carboxamide
CID 96536863
N-(2-amino-5-methoxyphenyl)-4-benzylmorpholine-2-carboxamide
CID 119420780
(2S)-4-benzyl-N-(2-methoxyethyl)morpholine-2-carboxamide
CID 95636050
(2S)-2-[(4-benzylmorpholine-2-carbonyl)amino]hexanoic acid
CID 120615247
(2S)-N-ethyl-4-[(3-phenoxyphenyl)methyl]morpholine-2-carboxamide
CID 125486482
[(2S)-4-benzylmorpholin-2-yl]-phenylmethanone;(4-benzylmorpholin-2-yl)-phenylmethanone
CID 158902777
4-[[[(2S)-4-benzylmorpholine-2-carbonyl]amino]methyl]benzoic acid
CID 124703916

Frequently Asked Questions

What is the IUPAC name of (2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide?
The IUPAC name of (2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide (CID 97259995) is (2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide.
What is the SMILES notation for (2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide?
The canonical SMILES for (2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide is CCc1cc(=O)c2cc(NC(=O)[C@@H]3CN(Cc4ccccc4)CCO3)ccc2[nH]1.
What is the InChIKey of (2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide?
The InChIKey is QWOZOWRGHJOMKF-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-2-17-13-21(27)19-12-18(8-9-20(19)24-17)25-23(28)22-15-26(10-11-29-22)14-16-6-4-3-5-7-16/h3-9,12-13,22H,2,10-11,14-15H2,1H3,(H,24,27)(H,25,28)/t22-/m0/s1.
What are the key properties of (2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide?
(2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-benzyl-N-(2-ethyl-4-oxo-1H-quinolin-6-yl)morpholine-2-carboxamide is sourced from PubChem (CID 97259995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).