N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide

C20H21N3O5 — CID 1459255

IUPACN-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide
SMILESCOc1cc2cc(CN(CCO)C(=O)c3ccncc3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C20H21N3O5/c1-27-17-10-14-9-15(19(25)22-16(14)11-18(17)28-2)12-23(7-8-24)20(26)13-3-5-21-6-4-13/h3-6,9-11,24H,7-8,12H2,1-2H3,(H,22,25)
InChIKeyIUZUQGOVXNLEPS-UHFFFAOYSA-N
MW383.40 g/mol
LogP1.58
Rot. Bonds7

About N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide

N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide (PubChem CID 1459255) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide
PubChem CID1459255
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC NameN-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide
SMILESCOc1cc2cc(CN(CCO)C(=O)c3ccncc3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C20H21N3O5/c1-27-17-10-14-9-15(19(25)22-16(14)11-18(17)28-2)12-23(7-8-24)20(26)13-3-5-21-6-4-13/h3-6,9-11,24H,7-8,12H2,1-2H3,(H,22,25)
InChIKeyIUZUQGOVXNLEPS-UHFFFAOYSA-N
XLogP1.58
TPSA104.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide with MolForge

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Related Compounds

N-(2-hydroxyethyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453430
N-[(6-ethyl-2-oxo-1H-quinolin-3-yl)methyl]-N-[(4-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 1453611
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-phenylthiourea
CID 1149700
N-[(2-oxo-1H-quinolin-3-yl)methyl]-N-propylpyridine-4-carboxamide
CID 934261
1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-(2-hydroxyethyl)-3-(4-methylphenyl)thiourea
CID 1149703
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 110298967
N-(3-hydroxypropyl)-4-methoxy-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 3193899
4-ethoxy-N-(2-hydroxyethyl)-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453431
N-(2-hydroxyethyl)-3-methyl-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1452932
3,4,5-trimethoxy-N-[(6-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-propylbenzamide
CID 3752311
3-benzyl-1-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-1-[(2-methoxyphenyl)methyl]urea
CID 1437384
N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]benzamide
CID 1453537

Frequently Asked Questions

What is the IUPAC name of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide?
The IUPAC name of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide (CID 1459255) is N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide.
What is the SMILES notation for N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide?
The canonical SMILES for N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide is COc1cc2cc(CN(CCO)C(=O)c3ccncc3)c(=O)[nH]c2cc1OC.
What is the InChIKey of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide?
The InChIKey is IUZUQGOVXNLEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-27-17-10-14-9-15(19(25)22-16(14)11-18(17)28-2)12-23(7-8-24)20(26)13-3-5-21-6-4-13/h3-6,9-11,24H,7-8,12H2,1-2H3,(H,22,25).
What are the key properties of N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide?
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide has a molecular weight of 383.40 g/mol, XLogP of 1.58, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide is sourced from PubChem (CID 1459255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).