1-formyl-N-[4-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide

C24H20N4O3 — CID 155382068

IUPAC1-formyl-N-[4-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide
SMILESCc1ccn(-c2ccc3c(Oc4ccc(NC(=O)C5(C=O)CC5)cc4)ccnc3c2)n1
InChIInChI=1S/C24H20N4O3/c1-16-9-13-28(27-16)18-4-7-20-21(14-18)25-12-8-22(20)31-19-5-2-17(3-6-19)26-23(30)24(15-29)10-11-24/h2-9,12-15H,10-11H2,1H3,(H,26,30)
InChIKeyLHFZRINLQGOOMU-UHFFFAOYSA-N
MW412.45 g/mol
LogP4.44
Rot. Bonds6

About 1-formyl-N-[4-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide

1-formyl-N-[4-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide (PubChem CID 155382068) has the molecular formula C24H20N4O3 and a molecular weight of 412.45 g/mol. Its IUPAC name is 1-formyl-N-[4-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-formyl-N-[4-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide
PubChem CID155382068
Molecular FormulaC24H20N4O3
Molecular Weight412.45 g/mol
Exact Mass412.15
IUPAC Name1-formyl-N-[4-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide
SMILESCc1ccn(-c2ccc3c(Oc4ccc(NC(=O)C5(C=O)CC5)cc4)ccnc3c2)n1
InChIInChI=1S/C24H20N4O3/c1-16-9-13-28(27-16)18-4-7-20-21(14-18)25-12-8-22(20)31-19-5-2-17(3-6-19)26-23(30)24(15-29)10-11-24/h2-9,12-15H,10-11H2,1H3,(H,26,30)
InChIKeyLHFZRINLQGOOMU-UHFFFAOYSA-N
XLogP4.44
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

4-[4-[(1-formylcyclopropanecarbonyl)amino]phenoxy]-6-methylquinoline-7-carboxylic acid
CID 139366087
4-(4-aminophenoxy)-6-methylquinoline-7-carboxamide;N-(4-fluorophenyl)-1-formylcyclopropane-1-carboxamide
CID 153329906
1-N-[4-(7-bromoquinolin-4-yl)oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide;ethane
CID 153329922
methyl 1-[(4-quinolin-4-yloxyphenyl)carbamoyl]cyclopropane-1-carboxylate
CID 130296636
1-N'-(4-fluorophenyl)-1-N-[4-[7-(2-methyltriazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155369063
1-N-[4-[7-[1-(difluoromethyl)pyrazol-3-yl]quinolin-4-yl]oxyphenyl]-1-N'-(4-fluorophenyl)cyclopropane-1,1-dicarboxamide
CID 155369331
5-[3-[4-[2-fluoro-4-(methylamino)phenoxy]quinolin-7-yl]oxy-2-hydroxypropyl]-5-azaspiro[2.4]heptan-7-ol;1-formyl-N-phenylcyclopropane-1-carboxamide
CID 143976572
[4-(6,7-dimethoxyquinolin-4-yl)oxyphenyl]carbamic acid
CID 22936459
1-N'-(4-fluoro-2,6-dimethylphenyl)-1-N-[4-[7-(1-methylpyrazol-4-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155369288
4-(6,7-dimethoxyquinolin-4-yl)oxy-N-methylaniline;1-formyl-N-[4-[4-(prop-2-enoylamino)piperidin-1-yl]-3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide;sulfane
CID 145278908
1-N'-(4-fluorophenyl)-1-N-[4-[7-(1H-imidazol-2-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1,1-dicarboxamide
CID 155369003
methyl 4-[4-[[1-[(4-fluorophenyl)carbamoyl]cyclopropanecarbonyl]amino]phenoxy]quinoline-6-carboxylate
CID 139350474

Frequently Asked Questions

What is the IUPAC name of 1-formyl-N-[4-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide?
The IUPAC name of 1-formyl-N-[4-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide (CID 155382068) is 1-formyl-N-[4-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 1-formyl-N-[4-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide?
The canonical SMILES for 1-formyl-N-[4-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide is Cc1ccn(-c2ccc3c(Oc4ccc(NC(=O)C5(C=O)CC5)cc4)ccnc3c2)n1.
What is the InChIKey of 1-formyl-N-[4-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide?
The InChIKey is LHFZRINLQGOOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O3/c1-16-9-13-28(27-16)18-4-7-20-21(14-18)25-12-8-22(20)31-19-5-2-17(3-6-19)26-23(30)24(15-29)10-11-24/h2-9,12-15H,10-11H2,1H3,(H,26,30).
What are the key properties of 1-formyl-N-[4-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide?
1-formyl-N-[4-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 4.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formyl-N-[4-[7-(3-methylpyrazol-1-yl)quinolin-4-yl]oxyphenyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 155382068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).