2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide

C25H24N2O3 — CID 47043404

IUPAC2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)NCCc3ccc(OCc4ccccc4)cc3)ccc2N1
InChIInChI=1S/C25H24N2O3/c28-24-13-9-20-16-21(8-12-23(20)27-24)25(29)26-15-14-18-6-10-22(11-7-18)30-17-19-4-2-1-3-5-19/h1-8,10-12,16H,9,13-15,17H2,(H,26,29)(H,27,28)
InChIKeyDIWODUUNMLWQSP-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.12
Rot. Bonds7

About 2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide

2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide (PubChem CID 47043404) has the molecular formula C25H24N2O3 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide
PubChem CID47043404
Molecular FormulaC25H24N2O3
Molecular Weight400.48 g/mol
Exact Mass400.18
IUPAC Name2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide
SMILESO=C1CCc2cc(C(=O)NCCc3ccc(OCc4ccccc4)cc3)ccc2N1
InChIInChI=1S/C25H24N2O3/c28-24-13-9-20-16-21(8-12-23(20)27-24)25(29)26-15-14-18-6-10-22(11-7-18)30-17-19-4-2-1-3-5-19/h1-8,10-12,16H,9,13-15,17H2,(H,26,29)(H,27,28)
InChIKeyDIWODUUNMLWQSP-UHFFFAOYSA-N
XLogP4.12
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-(phenoxymethyl)benzamide
CID 78891643
N-[2-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-phenoxypropanamide
CID 110788637
N-[(4-benzylcyclohexyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 58923659
N-[2-(4-tert-butylphenyl)ethyl]-4-(4-phenylmethoxyphenyl)benzamide
CID 139904878
2-[(2-oxo-3,4-dihydro-1H-quinoline-6-carbonyl)amino]acetic acid
CID 82480129
2-[(4-fluorophenyl)methoxy]-N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]benzamide
CID 78891950
6-[[4-(hydroxymethyl)phenyl]methoxy]-3,4-dihydro-1H-quinolin-2-one
CID 115969585
N-(3-aminobutyl)-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 103806261
N-[2-(dimethylamino)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-6-carboxamide
CID 110761841
N-(2-hydroxyethyl)-4-phenylmethoxybenzamide
CID 10825986
N-[2-(4-methoxyphenoxy)ethyl]-2-oxo-1,3,4,5-tetrahydro-1-benzazepine-7-carboxamide
CID 108784577
N-[2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]ethyl]-4-pentoxybenzamide
CID 78891688

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
The IUPAC name of 2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide (CID 47043404) is 2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide.
What is the SMILES notation for 2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
The canonical SMILES for 2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide is O=C1CCc2cc(C(=O)NCCc3ccc(OCc4ccccc4)cc3)ccc2N1.
What is the InChIKey of 2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
The InChIKey is DIWODUUNMLWQSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N2O3/c28-24-13-9-20-16-21(8-12-23(20)27-24)25(29)26-15-14-18-6-10-22(11-7-18)30-17-19-4-2-1-3-5-19/h1-8,10-12,16H,9,13-15,17H2,(H,26,29)(H,27,28).
What are the key properties of 2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide?
2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide has a molecular weight of 400.48 g/mol, XLogP of 4.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[2-(4-phenylmethoxyphenyl)ethyl]-3,4-dihydro-1H-quinoline-6-carboxamide is sourced from PubChem (CID 47043404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).