N-[(4S)-2-oxo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide

C23H21N3O3 — CID 95147469

IUPACN-[(4S)-2-oxo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide
SMILESO=C1C[C@H](COCc2ccccc2)c2ccc(NC(=O)c3cccnc3)cc2N1
InChIInChI=1S/C23H21N3O3/c27-22-11-18(15-29-14-16-5-2-1-3-6-16)20-9-8-19(12-21(20)26-22)25-23(28)17-7-4-10-24-13-17/h1-10,12-13,18H,11,14-15H2,(H,25,28)(H,26,27)/t18-/m1/s1
InChIKeyILSMESXTFUMFFK-GOSISDBHSA-N
MW387.44 g/mol
LogP3.98
Rot. Bonds6

About N-[(4S)-2-oxo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide

N-[(4S)-2-oxo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide (PubChem CID 95147469) has the molecular formula C23H21N3O3 and a molecular weight of 387.44 g/mol. Its IUPAC name is N-[(4S)-2-oxo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4S)-2-oxo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide
PubChem CID95147469
Molecular FormulaC23H21N3O3
Molecular Weight387.44 g/mol
Exact Mass387.16
IUPAC NameN-[(4S)-2-oxo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide
SMILESO=C1C[C@H](COCc2ccccc2)c2ccc(NC(=O)c3cccnc3)cc2N1
InChIInChI=1S/C23H21N3O3/c27-22-11-18(15-29-14-16-5-2-1-3-6-16)20-9-8-19(12-21(20)26-22)25-23(28)17-7-4-10-24-13-17/h1-10,12-13,18H,11,14-15H2,(H,25,28)(H,26,27)/t18-/m1/s1
InChIKeyILSMESXTFUMFFK-GOSISDBHSA-N
XLogP3.98
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(4S)-2-oxo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[4-(6-methoxy-2-pyridinyl)-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide
CID 171388372
N-[(4S)-4-[5-(hydroxymethyl)furan-2-yl]-2-oxo-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide
CID 95122424
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
N-(4-oxo-3,5-dihydro-2H-1,5-benzoxazepin-7-yl)pyridine-3-carboxamide
CID 110778271
N-[3-(methoxymethyl)phenyl]pyridine-3-carboxamide
CID 32638262
N-[3-(4-phenylmethoxypiperidine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 55633340
N-[3-[[(2-phenylacetyl)amino]methyl]phenyl]pyridine-3-carboxamide
CID 108926276
N-[3-[(4-phenoxyphenyl)carbamoyl]phenyl]pyridine-3-carboxamide
CID 55631172
N-(2,3-dihydro-1H-indol-5-yl)pyridine-3-carboxamide
CID 63253121
N-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)pyridine-3-carboxamide
CID 17424246
N-(6-phenylmethoxy-3-pyridinyl)-3-(pyridin-3-ylmethoxy)benzamide
CID 55880084
N-[4-[(4-benzylpiperazin-1-yl)methyl]phenyl]pyridine-3-carboxamide
CID 55646921

Frequently Asked Questions

What is the IUPAC name of N-[(4S)-2-oxo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(4S)-2-oxo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide (CID 95147469) is N-[(4S)-2-oxo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(4S)-2-oxo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(4S)-2-oxo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide is O=C1C[C@H](COCc2ccccc2)c2ccc(NC(=O)c3cccnc3)cc2N1.
What is the InChIKey of N-[(4S)-2-oxo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide?
The InChIKey is ILSMESXTFUMFFK-GOSISDBHSA-N. The full InChI is InChI=1S/C23H21N3O3/c27-22-11-18(15-29-14-16-5-2-1-3-6-16)20-9-8-19(12-21(20)26-22)25-23(28)17-7-4-10-24-13-17/h1-10,12-13,18H,11,14-15H2,(H,25,28)(H,26,27)/t18-/m1/s1.
What are the key properties of N-[(4S)-2-oxo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide?
N-[(4S)-2-oxo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4S)-2-oxo-4-(phenylmethoxymethyl)-3,4-dihydro-1H-quinolin-7-yl]pyridine-3-carboxamide is sourced from PubChem (CID 95147469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).