N-(5-carbamoyl-2-adamantyl)-8-(2-methylpropoxy)quinoline-2-carboxamide

C25H31N3O3 — CID 71089639

IUPACN-(5-carbamoyl-2-adamantyl)-8-(2-methylpropoxy)quinoline-2-carboxamide
SMILESCC(C)COc1cccc2ccc(C(=O)NC3C4CC5CC3CC(C(N)=O)(C5)C4)nc12
InChIInChI=1S/C25H31N3O3/c1-14(2)13-31-20-5-3-4-16-6-7-19(27-22(16)20)23(29)28-21-17-8-15-9-18(21)12-25(10-15,11-17)24(26)30/h3-7,14-15,17-18,21H,8-13H2,1-2H3,(H2,26,30)(H,28,29)
InChIKeyRCOPYMJRPQWHQK-UHFFFAOYSA-N
MW421.54 g/mol
LogP3.68
Rot. Bonds6

About N-(5-carbamoyl-2-adamantyl)-8-(2-methylpropoxy)quinoline-2-carboxamide

N-(5-carbamoyl-2-adamantyl)-8-(2-methylpropoxy)quinoline-2-carboxamide (PubChem CID 71089639) has the molecular formula C25H31N3O3 and a molecular weight of 421.54 g/mol. Its IUPAC name is N-(5-carbamoyl-2-adamantyl)-8-(2-methylpropoxy)quinoline-2-carboxamide.

Molecular Properties

Compound NameN-(5-carbamoyl-2-adamantyl)-8-(2-methylpropoxy)quinoline-2-carboxamide
PubChem CID71089639
Molecular FormulaC25H31N3O3
Molecular Weight421.54 g/mol
Exact Mass421.24
IUPAC NameN-(5-carbamoyl-2-adamantyl)-8-(2-methylpropoxy)quinoline-2-carboxamide
SMILESCC(C)COc1cccc2ccc(C(=O)NC3C4CC5CC3CC(C(N)=O)(C5)C4)nc12
InChIInChI=1S/C25H31N3O3/c1-14(2)13-31-20-5-3-4-16-6-7-19(27-22(16)20)23(29)28-21-17-8-15-9-18(21)12-25(10-15,11-17)24(26)30/h3-7,14-15,17-18,21H,8-13H2,1-2H3,(H2,26,30)(H,28,29)
InChIKeyRCOPYMJRPQWHQK-UHFFFAOYSA-N
XLogP3.68
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 127021019
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CID 10745254
Cr-3465
CID 71474171
N-methyl-4-[(E)-3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methyl-4-phenylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]benzamide;hydrochloride
CID 45259996
N-methyl-4-[(E)-3-oxo-3-[[2-oxo-2-[N,2,4-trimethyl-3-[(2-methylquinolin-8-yl)oxymethyl]anilino]ethyl]amino]prop-1-enyl]benzamide;hydrochloride
CID 45260041
N-[(2S)-1-[[(2S,3R)-4-[[(8S,11S)-8-[(2R)-butan-2-yl]-7,10-dioxo-2-oxa-6,9-diazabicyclo[11.2.2]heptadeca-1(15),13,16-trien-11-yl]amino]-3-hydroxy-1-phenylbutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]quinoline-2-carboxamide
CID 56678364
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CID 2295236
4-((E)-2-{[2'',4''-Dimethyl-3''-(2-methyl-quinolin-8-yloxymethyl)-biphenyl-2-ylmethyl]-carbamoyl}-vinyl)-N-methyl-benzamide
CID 9894265
3-[2-(dimethylamino)ethoxy]-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10623566
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CID 10626599

Frequently Asked Questions

What is the IUPAC name of N-(5-carbamoyl-2-adamantyl)-8-(2-methylpropoxy)quinoline-2-carboxamide?
The IUPAC name of N-(5-carbamoyl-2-adamantyl)-8-(2-methylpropoxy)quinoline-2-carboxamide (CID 71089639) is N-(5-carbamoyl-2-adamantyl)-8-(2-methylpropoxy)quinoline-2-carboxamide.
What is the SMILES notation for N-(5-carbamoyl-2-adamantyl)-8-(2-methylpropoxy)quinoline-2-carboxamide?
The canonical SMILES for N-(5-carbamoyl-2-adamantyl)-8-(2-methylpropoxy)quinoline-2-carboxamide is CC(C)COc1cccc2ccc(C(=O)NC3C4CC5CC3CC(C(N)=O)(C5)C4)nc12.
What is the InChIKey of N-(5-carbamoyl-2-adamantyl)-8-(2-methylpropoxy)quinoline-2-carboxamide?
The InChIKey is RCOPYMJRPQWHQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3/c1-14(2)13-31-20-5-3-4-16-6-7-19(27-22(16)20)23(29)28-21-17-8-15-9-18(21)12-25(10-15,11-17)24(26)30/h3-7,14-15,17-18,21H,8-13H2,1-2H3,(H2,26,30)(H,28,29).
What are the key properties of N-(5-carbamoyl-2-adamantyl)-8-(2-methylpropoxy)quinoline-2-carboxamide?
N-(5-carbamoyl-2-adamantyl)-8-(2-methylpropoxy)quinoline-2-carboxamide has a molecular weight of 421.54 g/mol, XLogP of 3.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-carbamoyl-2-adamantyl)-8-(2-methylpropoxy)quinoline-2-carboxamide is sourced from PubChem (CID 71089639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).