N-(2-methylquinolin-5-yl)adamantane-1-carboxamide

C21H24N2O — CID 584801

IUPACN-(2-methylquinolin-5-yl)adamantane-1-carboxamide
SMILESCc1ccc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C21H24N2O/c1-13-5-6-17-18(22-13)3-2-4-19(17)23-20(24)21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,14-16H,7-12H2,1H3,(H,23,24)
InChIKeyDJUZLEAPEWGURU-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.70
Rot. Bonds2

About N-(2-methylquinolin-5-yl)adamantane-1-carboxamide

N-(2-methylquinolin-5-yl)adamantane-1-carboxamide (PubChem CID 584801) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is N-(2-methylquinolin-5-yl)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-methylquinolin-5-yl)adamantane-1-carboxamide
PubChem CID584801
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC NameN-(2-methylquinolin-5-yl)adamantane-1-carboxamide
SMILESCc1ccc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)cccc2n1
InChIInChI=1S/C21H24N2O/c1-13-5-6-17-18(22-13)3-2-4-19(17)23-20(24)21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,14-16H,7-12H2,1H3,(H,23,24)
InChIKeyDJUZLEAPEWGURU-UHFFFAOYSA-N
XLogP4.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N-(2-methylquinolin-5-yl)adamantane-1-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

N-[2-[(6-methyl-2-pyridinyl)carbamoyl]phenyl]adamantane-1-carboxamide
CID 17233954
N-(2-methylimidazo[1,2-a]pyridin-8-yl)adamantane-1-carboxamide
CID 110735262
1-(2-methylquinolin-5-yl)-3-[(3S)-thiolan-3-yl]urea
CID 97443734
N-(3-methyl-2-pyridinyl)adamantane-1-carboxamide
CID 3142834
N-(2-methylquinolin-5-yl)-1-methylsulfonylazetidine-3-carboxamide
CID 90513237
N-(2-chloro-3-pyridinyl)adamantane-1-carboxamide
CID 3908305
N-[1-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide
CID 171577010
3-iodo-N-(2-methylquinolin-5-yl)benzamide
CID 17099145
(2S)-N-(2-methylquinolin-5-yl)-2-propan-2-yl-2,5-dihydropyrrole-1-carboxamide
CID 125161337
1-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-N-(2-methylquinolin-5-yl)cyclopropane-1-carboxamide
CID 90504519
N-(9,10-dioxoanthracen-1-yl)adamantane-1-carboxamide
CID 4034251
N-[4-(adamantane-1-carbonylamino)naphthalen-2-yl]adamantane-1-carboxamide
CID 171577080

Frequently Asked Questions

What is the IUPAC name of N-(2-methylquinolin-5-yl)adamantane-1-carboxamide?
The IUPAC name of N-(2-methylquinolin-5-yl)adamantane-1-carboxamide (CID 584801) is N-(2-methylquinolin-5-yl)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-methylquinolin-5-yl)adamantane-1-carboxamide?
The canonical SMILES for N-(2-methylquinolin-5-yl)adamantane-1-carboxamide is Cc1ccc2c(NC(=O)C34CC5CC(CC(C5)C3)C4)cccc2n1.
What is the InChIKey of N-(2-methylquinolin-5-yl)adamantane-1-carboxamide?
The InChIKey is DJUZLEAPEWGURU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-13-5-6-17-18(22-13)3-2-4-19(17)23-20(24)21-10-14-7-15(11-21)9-16(8-14)12-21/h2-6,14-16H,7-12H2,1H3,(H,23,24).
What are the key properties of N-(2-methylquinolin-5-yl)adamantane-1-carboxamide?
N-(2-methylquinolin-5-yl)adamantane-1-carboxamide has a molecular weight of 320.44 g/mol, XLogP of 4.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylquinolin-5-yl)adamantane-1-carboxamide is sourced from PubChem (CID 584801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).