N-[4-(carbamoylcarbamoyl)cyclohexyl]quinoline-3-carboxamide

C18H20N4O3 — CID 154737484

IUPACN-[4-(carbamoylcarbamoyl)cyclohexyl]quinoline-3-carboxamide
SMILESNC(=O)NC(=O)C1CCC(NC(=O)c2cnc3ccccc3c2)CC1
InChIInChI=1S/C18H20N4O3/c19-18(25)22-16(23)11-5-7-14(8-6-11)21-17(24)13-9-12-3-1-2-4-15(12)20-10-13/h1-4,9-11,14H,5-8H2,(H,21,24)(H3,19,22,23,25)
InChIKeyXPBRBVCHPHPPLB-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.72
Rot. Bonds3

About N-[4-(carbamoylcarbamoyl)cyclohexyl]quinoline-3-carboxamide

N-[4-(carbamoylcarbamoyl)cyclohexyl]quinoline-3-carboxamide (PubChem CID 154737484) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[4-(carbamoylcarbamoyl)cyclohexyl]quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[4-(carbamoylcarbamoyl)cyclohexyl]quinoline-3-carboxamide
PubChem CID154737484
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[4-(carbamoylcarbamoyl)cyclohexyl]quinoline-3-carboxamide
SMILESNC(=O)NC(=O)C1CCC(NC(=O)c2cnc3ccccc3c2)CC1
InChIInChI=1S/C18H20N4O3/c19-18(25)22-16(23)11-5-7-14(8-6-11)21-17(24)13-9-12-3-1-2-4-15(12)20-10-13/h1-4,9-11,14H,5-8H2,(H,21,24)(H3,19,22,23,25)
InChIKeyXPBRBVCHPHPPLB-UHFFFAOYSA-N
XLogP1.72
TPSA114.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-[[(2S)-1,1-difluoropropan-2-yl]amino]cyclohexyl]quinoline-3-carboxamide
CID 150149024
quinoline-3-carboxamide;hydrofluoride
CID 174911514
N-[N'-(quinoline-3-carbonyl)carbamimidoyl]quinoline-3-carboxamide
CID 22961497
2-bromo-N-[4-(carbamoylcarbamoyl)cyclohexyl]benzamide
CID 154739991
N-cyclohexyl-6-hydroxyquinoline-3-carboxamide
CID 69292752
N-[3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]quinoline-3-carboxamide
CID 118521845
N-[3-(quinoline-3-carbonylamino)phenyl]quinoline-3-carboxamide
CID 171577203
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
CID 171061363
N-cycloheptylcinnoline-3-carboxamide
CID 110705102
N-(1,3-dicyclopropylpropan-2-yl)quinoline-3-carboxamide
CID 155104929
2-(cyclopropanecarbonylamino)-N-quinolin-3-ylpyridine-4-carboxamide
CID 118071036
N-(4-hydroxyphenyl)quinoline-3-carboxamide
CID 110489513

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylcarbamoyl)cyclohexyl]quinoline-3-carboxamide?
The IUPAC name of N-[4-(carbamoylcarbamoyl)cyclohexyl]quinoline-3-carboxamide (CID 154737484) is N-[4-(carbamoylcarbamoyl)cyclohexyl]quinoline-3-carboxamide.
What is the SMILES notation for N-[4-(carbamoylcarbamoyl)cyclohexyl]quinoline-3-carboxamide?
The canonical SMILES for N-[4-(carbamoylcarbamoyl)cyclohexyl]quinoline-3-carboxamide is NC(=O)NC(=O)C1CCC(NC(=O)c2cnc3ccccc3c2)CC1.
What is the InChIKey of N-[4-(carbamoylcarbamoyl)cyclohexyl]quinoline-3-carboxamide?
The InChIKey is XPBRBVCHPHPPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c19-18(25)22-16(23)11-5-7-14(8-6-11)21-17(24)13-9-12-3-1-2-4-15(12)20-10-13/h1-4,9-11,14H,5-8H2,(H,21,24)(H3,19,22,23,25).
What are the key properties of N-[4-(carbamoylcarbamoyl)cyclohexyl]quinoline-3-carboxamide?
N-[4-(carbamoylcarbamoyl)cyclohexyl]quinoline-3-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylcarbamoyl)cyclohexyl]quinoline-3-carboxamide is sourced from PubChem (CID 154737484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).