(1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide

C20H22N2O2 — CID 887012

IUPAC(1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)[C@@]2(C(=O)Nc3cccc4cccnc34)CC[C@]1(C)C(=O)C2
InChIInChI=1S/C20H22N2O2/c1-18(2)19(3)9-10-20(18,12-15(19)23)17(24)22-14-8-4-6-13-7-5-11-21-16(13)14/h4-8,11H,9-10,12H2,1-3H3,(H,22,24)/t19-,20+/m1/s1
InChIKeyVJMCVXHADRXLPU-UXHICEINSA-N
MW322.41 g/mol
LogP3.96
Rot. Bonds2

About (1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide

(1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide (PubChem CID 887012) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is (1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide.

Molecular Properties

Compound Name(1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide
PubChem CID887012
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC Name(1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide
SMILESCC1(C)[C@@]2(C(=O)Nc3cccc4cccnc34)CC[C@]1(C)C(=O)C2
InChIInChI=1S/C20H22N2O2/c1-18(2)19(3)9-10-20(18,12-15(19)23)17(24)22-14-8-4-6-13-7-5-11-21-16(13)14/h4-8,11H,9-10,12H2,1-3H3,(H,22,24)/t19-,20+/m1/s1
InChIKeyVJMCVXHADRXLPU-UXHICEINSA-N
XLogP3.96
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide with MolForge

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Related Compounds

methyl 2-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]benzoate
CID 2920895
1-N-(3-acetamidophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108983466
(1R,4S)-N-(2,5-difluorophenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 7332383
1-N'-tert-butyl-1-N-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108979412
1-(2-methoxyphenyl)-N-quinolin-8-ylcyclopropane-1-carboxamide
CID 110438937
1-N-(2-fluorophenyl)-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108982341
1-phenyl-N-quinolin-8-ylcyclopentane-1-carboxamide
CID 17027296
N-(2-methoxy-5-methylphenyl)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamide
CID 2946426
1-N-cyclopentyl-1-N'-quinolin-8-ylcyclopropane-1,1-dicarboxamide
CID 108971914
2-propyl-N-quinolin-8-ylpyrrolidine-2-carboxamide
CID 106973994
1-(3-chlorophenyl)-N-quinolin-8-ylcyclobutane-1-carboxamide
CID 134022555
2-[1-(aminomethyl)cyclobutyl]-N-quinolin-8-ylacetamide
CID 81167252

Frequently Asked Questions

What is the IUPAC name of (1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide?
The IUPAC name of (1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide (CID 887012) is (1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide.
What is the SMILES notation for (1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide?
The canonical SMILES for (1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide is CC1(C)[C@@]2(C(=O)Nc3cccc4cccnc34)CC[C@]1(C)C(=O)C2.
What is the InChIKey of (1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide?
The InChIKey is VJMCVXHADRXLPU-UXHICEINSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-18(2)19(3)9-10-20(18,12-15(19)23)17(24)22-14-8-4-6-13-7-5-11-21-16(13)14/h4-8,11H,9-10,12H2,1-3H3,(H,22,24)/t19-,20+/m1/s1.
What are the key properties of (1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide?
(1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4S)-4,7,7-trimethyl-3-oxo-N-quinolin-8-ylbicyclo[2.2.1]heptane-1-carboxamide is sourced from PubChem (CID 887012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).