N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide

C23H21N3O2 — CID 30456130

IUPACN-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C23H21N3O2/c27-22(15-7-8-15)24-16-9-11-17(12-10-16)25-23(28)19-13-21(14-5-6-14)26-20-4-2-1-3-18(19)20/h1-4,9-15H,5-8H2,(H,24,27)(H,25,28)
InChIKeyGETIBFWAAGSQFZ-UHFFFAOYSA-N
MW371.44 g/mol
LogP4.71
Rot. Bonds5

About N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide

N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide (PubChem CID 30456130) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide
PubChem CID30456130
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC NameN-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide
SMILESO=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc(C2CC2)nc2ccccc12
InChIInChI=1S/C23H21N3O2/c27-22(15-7-8-15)24-16-9-11-17(12-10-16)25-23(28)19-13-21(14-5-6-14)26-20-4-2-1-3-18(19)20/h1-4,9-15H,5-8H2,(H,24,27)(H,25,28)
InChIKeyGETIBFWAAGSQFZ-UHFFFAOYSA-N
XLogP4.71
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-N-pyridin-3-ylquinoline-4-carboxamide
CID 31745720
methyl N-[4-[(2-cyclopropylquinoline-4-carbonyl)amino]phenyl]-N-methylcarbamate
CID 60578469
2-cyclopropyl-N-(3-nitrophenyl)quinoline-4-carboxamide
CID 9040689
2-cyclopropyl-N-(2-hydroxy-4-methylphenyl)quinoline-4-carboxamide
CID 112796017
2-cyclopropyl-N-(2,4-difluorophenyl)quinoline-4-carboxamide
CID 9209411
2-cyclopropyl-N-methylsulfonylquinoline-4-carboxamide
CID 146154924
2-cyclopentylquinoline-4-carbohydrazide
CID 5270704
2-cyclopropyl-N-[1-(2-methoxyethyl)-6-oxo-3-pyridinyl]quinoline-4-carboxamide
CID 71888696
2-cyclopropyl-N-[(2R)-2-hydroxy-2-phenylethyl]quinoline-4-carboxamide
CID 42534455
2-cyclopropylquinoline-4-carbonyl chloride;hydrochloride
CID 87334108
N'-(4-chlorobenzoyl)-2-cyclopropylquinoline-4-carbohydrazide
CID 9206846
(2S)-2-[(2-cyclopropylquinoline-4-carbonyl)amino]-3-methylbutanoic acid
CID 119360414

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide?
The IUPAC name of N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide (CID 30456130) is N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide.
What is the SMILES notation for N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide?
The canonical SMILES for N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide is O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1cc(C2CC2)nc2ccccc12.
What is the InChIKey of N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide?
The InChIKey is GETIBFWAAGSQFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c27-22(15-7-8-15)24-16-9-11-17(12-10-16)25-23(28)19-13-21(14-5-6-14)26-20-4-2-1-3-18(19)20/h1-4,9-15H,5-8H2,(H,24,27)(H,25,28).
What are the key properties of N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide?
N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide has a molecular weight of 371.44 g/mol, XLogP of 4.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide is sourced from PubChem (CID 30456130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).