N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

C24H25N3O2 — CID 119456905

IUPACN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CC4CCC(C3)N4)c3ccccc3n2)cc1
InChIInChI=1S/C24H25N3O2/c1-29-19-10-6-15(7-11-19)23-14-21(20-4-2-3-5-22(20)27-23)24(28)26-18-12-16-8-9-17(13-18)25-16/h2-7,10-11,14,16-18,25H,8-9,12-13H2,1H3,(H,26,28)
InChIKeyQCPIZVRDIIEGDC-UHFFFAOYSA-N
MW387.48 g/mol
LogP3.92
Rot. Bonds4

About N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (PubChem CID 119456905) has the molecular formula C24H25N3O2 and a molecular weight of 387.48 g/mol. Its IUPAC name is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
PubChem CID119456905
Molecular FormulaC24H25N3O2
Molecular Weight387.48 g/mol
Exact Mass387.19
IUPAC NameN-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC3CC4CCC(C3)N4)c3ccccc3n2)cc1
InChIInChI=1S/C24H25N3O2/c1-29-19-10-6-15(7-11-19)23-14-21(20-4-2-3-5-22(20)27-23)24(28)26-18-12-16-8-9-17(13-18)25-16/h2-7,10-11,14,16-18,25H,8-9,12-13H2,1H3,(H,26,28)
InChIKeyQCPIZVRDIIEGDC-UHFFFAOYSA-N
XLogP3.92
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.48
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide with MolForge

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-2-pyridin-4-ylquinoline-4-carboxamide
CID 119457455
N-(8-azabicyclo[3.2.1]octan-3-yl)-7-fluoro-2-phenylquinoline-4-carboxamide;dihydrochloride
CID 119459509
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-cyclopropylquinoline-4-carboxamide;dihydrochloride
CID 119456987
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)quinoline-4-carbonyl]amino]butyl]quinoline-4-carboxamide
CID 3631336
N-[(1R,2S,3S)-2,3-dimethylcyclohexyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 92695624
2-(4-methoxyphenyl)-N-[(3R)-2-oxoazepan-3-yl]quinoline-4-carboxamide
CID 94130731
2-(2,4-dimethoxyphenyl)-N-[4-[[2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl]amino]cyclohexyl]quinoline-4-carboxamide
CID 3575528
N-(4-hydroxycyclohexyl)-2-phenylquinoline-4-carboxamide
CID 78767510
N-(4-methoxyphenyl)-2-phenylquinoline-4-carboxamide
CID 1035332
2-(4-methoxyphenyl)-N-(3-methoxypropyl)quinoline-4-carboxamide
CID 2078342
N-[2-(2-methoxyethylamino)-2-oxoethyl]-2-(4-methoxyphenyl)quinoline-4-carboxamide
CID 24542876
2-(4-methoxyphenyl)-N'-(2-methylpropanoyl)quinoline-4-carbohydrazide
CID 24542943

Frequently Asked Questions

What is the IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The IUPAC name of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide (CID 119456905) is N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide.
What is the SMILES notation for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The canonical SMILES for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is COc1ccc(-c2cc(C(=O)NC3CC4CCC(C3)N4)c3ccccc3n2)cc1.
What is the InChIKey of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
The InChIKey is QCPIZVRDIIEGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O2/c1-29-19-10-6-15(7-11-19)23-14-21(20-4-2-3-5-22(20)27-23)24(28)26-18-12-16-8-9-17(13-18)25-16/h2-7,10-11,14,16-18,25H,8-9,12-13H2,1H3,(H,26,28).
What are the key properties of N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide?
N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide has a molecular weight of 387.48 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-azabicyclo[3.2.1]octan-3-yl)-2-(4-methoxyphenyl)quinoline-4-carboxamide is sourced from PubChem (CID 119456905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).