4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide

C24H24N2O4 — CID 58272598

IUPAC4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)CC4CC4)cc3C)c2cc1C(N)=O
InChIInChI=1S/C24H24N2O4/c1-14-9-16(11-17(27)10-15-3-4-15)5-6-21(14)30-22-7-8-26-20-13-23(29-2)19(24(25)28)12-18(20)22/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H2,25,28)
InChIKeyWBEGKLSAVDNGGW-UHFFFAOYSA-N
MW404.47 g/mol
LogP4.35
Rot. Bonds8

About 4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide

4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide (PubChem CID 58272598) has the molecular formula C24H24N2O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is 4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide.

Molecular Properties

Compound Name4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide
PubChem CID58272598
Molecular FormulaC24H24N2O4
Molecular Weight404.47 g/mol
Exact Mass404.17
IUPAC Name4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide
SMILESCOc1cc2nccc(Oc3ccc(CC(=O)CC4CC4)cc3C)c2cc1C(N)=O
InChIInChI=1S/C24H24N2O4/c1-14-9-16(11-17(27)10-15-3-4-15)5-6-21(14)30-22-7-8-26-20-13-23(29-2)19(24(25)28)12-18(20)22/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H2,25,28)
InChIKeyWBEGKLSAVDNGGW-UHFFFAOYSA-N
XLogP4.35
TPSA91.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-chloro-4-(3-cyclopropyl-2-sulfanylidenepropyl)-2-fluorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 147640053
1-cyclopropyl-3-[4-(7-methyl-6-propanoylquinolin-4-yl)oxyphenyl]propan-2-one
CID 58272886
2-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxyphenyl]acetic acid
CID 67304323
4-[4-(cyclopropylcarbamoylamino)-2,3-dimethylphenoxy]-7-methoxyquinoline-6-carboxamide
CID 22936630
4-[2-amino-4-(cyclopropylcarbamoyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 69373218
5-[4-(6,7-dimethoxyquinolin-4-yl)oxy-3-fluorophenyl]-1-(4-methylcyclohexyl)-4-sulfanylidenepentan-2-one
CID 58249526
4-[4-[3-[4-(6-carbamoyl-7-methoxyquinolin-4-yl)oxy-2-chlorophenyl]-2-oxopropyl]-3-chlorophenoxy]-7-methylquinoline-6-carboxamide
CID 157234662
7-methoxy-4-[4-(2-oxo-2-pyrrolidin-1-ylethyl)phenoxy]quinoline-6-carboxamide
CID 134333891
1-cyclohexyl-5-[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]-4-sulfanylidenepentan-2-one
CID 58249457
4-[4-(cyclopropylcarbamoylamino)-2,5-difluorophenoxy]-7-methoxyquinoline-6-carboxamide
CID 154625445
7-methoxy-4-(4-nitronaphthalen-1-yl)oxyquinoline-6-carboxamide
CID 169101863
4-[4-amino-3-(fluoromethyl)phenoxy]-7-methoxyquinoline-6-carboxamide
CID 89132178

Frequently Asked Questions

What is the IUPAC name of 4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide?
The IUPAC name of 4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide (CID 58272598) is 4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide.
What is the SMILES notation for 4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide?
The canonical SMILES for 4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide is COc1cc2nccc(Oc3ccc(CC(=O)CC4CC4)cc3C)c2cc1C(N)=O.
What is the InChIKey of 4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide?
The InChIKey is WBEGKLSAVDNGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O4/c1-14-9-16(11-17(27)10-15-3-4-15)5-6-21(14)30-22-7-8-26-20-13-23(29-2)19(24(25)28)12-18(20)22/h5-9,12-13,15H,3-4,10-11H2,1-2H3,(H2,25,28).
What are the key properties of 4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide?
4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide has a molecular weight of 404.47 g/mol, XLogP of 4.35, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(3-cyclopropyl-2-oxopropyl)-2-methylphenoxy]-7-methoxyquinoline-6-carboxamide is sourced from PubChem (CID 58272598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).