N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide

C24H25N3O2 — CID 134021169

IUPACN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NC(C)c3ccc(NC(=O)C4CC4)cc3)cc2c1
InChIInChI=1S/C24H25N3O2/c1-14-4-11-22-19(12-14)13-21(16(3)25-22)24(29)26-15(2)17-7-9-20(10-8-17)27-23(28)18-5-6-18/h4,7-13,15,18H,5-6H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyRGMQYZPBKUCFSD-UHFFFAOYSA-N
MW387.48 g/mol
LogP4.69
Rot. Bonds5

About N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide

N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide (PubChem CID 134021169) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide
PubChem CID134021169
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide
SMILESCc1ccc2nc(C)c(C(=O)NC(C)c3ccc(NC(=O)C4CC4)cc3)cc2c1
InChIInChI=1S/C24H25N3O2/c1-14-4-11-22-19(12-14)13-21(16(3)25-22)24(29)26-15(2)17-7-9-20(10-8-17)27-23(28)18-5-6-18/h4,7-13,15,18H,5-6H2,1-3H3,(H,26,29)(H,27,28)
InChIKeyRGMQYZPBKUCFSD-UHFFFAOYSA-N
XLogP4.69
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,7-dimethylquinoline-3-carboxamide
CID 55962066
N-[(1S)-1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,5-dimethylfuran-3-carboxamide
CID 38612575
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-3-methyl-6-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 78851356
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]piperidine-4-carboxamide;hydrochloride
CID 119288587
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,6-dimethylquinoline-3-carboxamide
CID 55653906
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-methyl-5-[(3-methylphenyl)sulfamoyl]benzamide
CID 43058083
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 46599128
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]cyclohexanecarboxamide
CID 42951882
N-[4-(cyclopropanecarbonylamino)phenyl]-2,5-dimethylbenzamide
CID 17444073
N-[4-[1-[3-(2-methoxy-5-methylphenyl)prop-2-enoylamino]ethyl]phenyl]cyclopropanecarboxamide
CID 55591555
N-[4-[1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide
CID 43507625
6-chloro-2-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]quinoline-3-carboxamide
CID 55474224

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide (CID 134021169) is N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide is Cc1ccc2nc(C)c(C(=O)NC(C)c3ccc(NC(=O)C4CC4)cc3)cc2c1.
What is the InChIKey of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide?
The InChIKey is RGMQYZPBKUCFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-14-4-11-22-19(12-14)13-21(16(3)25-22)24(29)26-15(2)17-7-9-20(10-8-17)27-23(28)18-5-6-18/h4,7-13,15,18H,5-6H2,1-3H3,(H,26,29)(H,27,28).
What are the key properties of N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide?
N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 4.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropanecarbonylamino)phenyl]ethyl]-2,6-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 134021169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).