7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide

C23H23N3O4 — CID 134333891

IUPAC7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)N4CCCC4)cc3)c2cc1C(N)=O
InChIInChI=1S/C23H23N3O4/c1-29-21-14-19-17(13-18(21)23(24)28)20(8-9-25-19)30-16-6-4-15(5-7-16)12-22(27)26-10-2-3-11-26/h4-9,13-14H,2-3,10-12H2,1H3,(H2,24,28)
InChIKeyVUPYWGGHHWZWIK-UHFFFAOYSA-N
MW405.45 g/mol
LogP3.30
Rot. Bonds6

About 7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide

7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide (PubChem CID 134333891) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is 7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide.

Molecular Properties

Compound Name7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide
PubChem CID134333891
Molecular FormulaC23H23N3O4
Molecular Weight405.45 g/mol
Exact Mass405.17
IUPAC Name7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)N4CCCC4)cc3)c2cc1C(N)=O
InChIInChI=1S/C23H23N3O4/c1-29-21-14-19-17(13-18(21)23(24)28)20(8-9-25-19)30-16-6-4-15(5-7-16)12-22(27)26-10-2-3-11-26/h4-9,13-14H,2-3,10-12H2,1H3,(H2,24,28)
InChIKeyVUPYWGGHHWZWIK-UHFFFAOYSA-N
XLogP3.30
TPSA94.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178
4-(3-chlorophenoxy)-7-methoxyquinoline-6-carboxamide
CID 141404312
4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide
CID 157234662
4-[4-amino-3-(trifluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936372
7-methoxy-4-[5-(morpholine-4-carbonyl)naphthalen-2-yl]oxyquinoline-6-carboxamide
CID 169101831
4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide
CID 58272598
4-(3-acetamido-5-methoxyphenoxy)-7-methoxyquinoline-6-carboxamide
CID 166095714
4-[3-chloro-4-[(3-fluoroazetidine-1-carbothioyl)amino]phenoxy]-7-methoxyquinoline-6-carboxamide
CID 134333789
1-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-5-(4-methylphenyl)pentane-2,4-dione
CID 58249515
7-methoxy-4-[3-methoxy-5-(methylcarbamoyl)phenoxy]quinoline-6-carboxamide
CID 171763786
[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-fluorophenyl]carbamic acid
CID 22936357

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide?
The IUPAC name of 7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide (CID 134333891) is 7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide.
What is the SMILES notation for 7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide?
The canonical SMILES for 7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(CC(=O)N4CCCC4)cc3)c2cc1C(N)=O.
What is the InChIKey of 7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide?
The InChIKey is VUPYWGGHHWZWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O4/c1-29-21-14-19-17(13-18(21)23(24)28)20(8-9-25-19)30-16-6-4-15(5-7-16)12-22(27)26-10-2-3-11-26/h4-9,13-14H,2-3,10-12H2,1H3,(H2,24,28).
What are the key properties of 7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide?
7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide has a molecular weight of 405.45 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide is sourced from PubChem (CID 134333891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).