N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide

C24H20ClN3O3 — CID 163359187

IUPACN-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O)c1ccccn1
InChIInChI=1S/C24H20ClN3O3/c25-19-10-9-17-14-18(16-27-23(29)21-8-4-5-11-26-21)24(30)28(22(17)15-19)12-13-31-20-6-2-1-3-7-20/h1-11,14-15H,12-13,16H2,(H,27,29)
InChIKeyNBDVPQDDSRUHJC-UHFFFAOYSA-N
MW433.90 g/mol
LogP4.06
Rot. Bonds7

About N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide

N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide (PubChem CID 163359187) has the molecular formula C24H20ClN3O3 and a molecular weight of 433.90 g/mol. Its IUPAC name is N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide
PubChem CID163359187
Molecular FormulaC24H20ClN3O3
Molecular Weight433.90 g/mol
Exact Mass433.12
IUPAC NameN-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide
SMILESO=C(NCc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O)c1ccccn1
InChIInChI=1S/C24H20ClN3O3/c25-19-10-9-17-14-18(16-27-23(29)21-8-4-5-11-26-21)24(30)28(22(17)15-19)12-13-31-20-6-2-1-3-7-20/h1-11,14-15H,12-13,16H2,(H,27,29)
InChIKeyNBDVPQDDSRUHJC-UHFFFAOYSA-N
XLogP4.06
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.90
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-chloro-3-[(1-methoxypropan-2-ylamino)methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 45172315
7-chloro-1-[2-(4-methoxyphenoxy)ethyl]-3-[(pyridin-2-ylmethylamino)methyl]quinolin-2-one
CID 163359200
7-chloro-3-methyl-1-(2-phenoxyethyl)quinolin-2-one
CID 169128473
7-chloro-1-(2-phenoxyethyl)-3-(pyrrolidin-1-ylmethyl)quinolin-2-one
CID 26319674
7-chloro-1-(2-phenoxyethyl)-3-[(1-thiophen-2-ylethylamino)methyl]quinolin-2-one
CID 45181917
7-chloro-3-[[[(2E)-2-[(methylideneamino)methylidene]but-3-enyl]amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 169128491
3-[[[(3Z,5E)-6-bromo-2-methylidenehepta-3,5-dienyl]amino]methyl]-7-chloro-1-(2-phenoxyethyl)quinolin-2-one
CID 169128512
7-chloro-3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 26396881
7-chloro-3-[[[(2Z,3Z,5E)-5-methoxy-2-propylidenehepta-3,5-dienyl]amino]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 170086144
7-chloro-N-(2-methylidenebut-3-enyl)-2-oxo-1-(2-phenoxyethyl)quinoline-3-carboxamide;prop-1-ene
CID 169128487
7-chloro-3-[[(2E)-2-ethenylpenta-2,4-dienoxy]methyl]-1-(2-phenoxyethyl)quinolin-2-one
CID 169128453
1-benzyl-6-chloro-4-(2-phenoxyethyl)quinoxaline-2,3-dione
CID 2124712

Frequently Asked Questions

What is the IUPAC name of N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide (CID 163359187) is N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide is O=C(NCc1cc2ccc(Cl)cc2n(CCOc2ccccc2)c1=O)c1ccccn1.
What is the InChIKey of N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide?
The InChIKey is NBDVPQDDSRUHJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20ClN3O3/c25-19-10-9-17-14-18(16-27-23(29)21-8-4-5-11-26-21)24(30)28(22(17)15-19)12-13-31-20-6-2-1-3-7-20/h1-11,14-15H,12-13,16H2,(H,27,29).
What are the key properties of N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide?
N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide has a molecular weight of 433.90 g/mol, XLogP of 4.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-chloro-2-oxo-1-(2-phenoxyethyl)quinolin-3-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 163359187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).