N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide

C21H29N3O2 — CID 120988225

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(=O)N1CCCc2cc(NC(=O)C3CC4CCCC(C3)C4N)ccc21
InChIInChI=1S/C21H29N3O2/c1-13(25)24-9-3-6-14-12-18(7-8-19(14)24)23-21(26)17-10-15-4-2-5-16(11-17)20(15)22/h7-8,12,15-17,20H,2-6,9-11,22H2,1H3,(H,23,26)
InChIKeyWXNBXALMEKFBFF-UHFFFAOYSA-N
MW355.48 g/mol
LogP3.08
Rot. Bonds2

About N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide (PubChem CID 120988225) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide
PubChem CID120988225
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide
SMILESCC(=O)N1CCCc2cc(NC(=O)C3CC4CCCC(C3)C4N)ccc21
InChIInChI=1S/C21H29N3O2/c1-13(25)24-9-3-6-14-12-18(7-8-19(14)24)23-21(26)17-10-15-4-2-5-16(11-17)20(15)22/h7-8,12,15-17,20H,2-6,9-11,22H2,1H3,(H,23,26)
InChIKeyWXNBXALMEKFBFF-UHFFFAOYSA-N
XLogP3.08
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-amino-N-(1-methyl-2,3-dihydroindol-6-yl)bicyclo[3.3.1]nonane-3-carboxamide
CID 120994058
9-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120984649
N-(1-acetyl-2,3-dihydroindol-5-yl)-4-tert-butylcyclohexane-1-carboxamide
CID 24637683
9-amino-N-[4-(2,5-dioxopyrrolidin-1-yl)-3-methylphenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120989748
(3R)-N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-1-benzylpiperidine-3-carboxamide
CID 95351102
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-2-amino-2-methylpropanamide;hydrochloride
CID 119312863
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclopentanecarboxamide
CID 7656708
N-[1-(2-methylpropanoyl)-3,4-dihydro-2H-quinolin-6-yl]cyclohexanecarboxamide
CID 18584143
N-(1-acetyl-2,3-dihydroindol-5-yl)-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide;hydrochloride
CID 119271734
9-amino-N-[4-(2-oxopyrrolidin-1-yl)phenyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120984328
9-amino-N-(2H-benzotriazol-5-yl)bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120991865
3-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)carbamoylamino]propanoic acid
CID 122078494

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide (CID 120988225) is N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide is CC(=O)N1CCCc2cc(NC(=O)C3CC4CCCC(C3)C4N)ccc21.
What is the InChIKey of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide?
The InChIKey is WXNBXALMEKFBFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-13(25)24-9-3-6-14-12-18(7-8-19(14)24)23-21(26)17-10-15-4-2-5-16(11-17)20(15)22/h7-8,12,15-17,20H,2-6,9-11,22H2,1H3,(H,23,26).
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide has a molecular weight of 355.48 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-9-aminobicyclo[3.3.1]nonane-3-carboxamide is sourced from PubChem (CID 120988225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).