N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide

C22H26N2O2 — CID 110324580

IUPACN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide
SMILESCc1ccc2cc(CNC(=O)C34CC5CC(CC(C5)C3)C4)c(=O)[nH]c2c1
InChIInChI=1S/C22H26N2O2/c1-13-2-3-17-8-18(20(25)24-19(17)4-13)12-23-21(26)22-9-14-5-15(10-22)7-16(6-14)11-22/h2-4,8,14-16H,5-7,9-12H2,1H3,(H,23,26)(H,24,25)
InChIKeyBWEUWMDEDGZHJR-UHFFFAOYSA-N
MW350.46 g/mol
LogP3.67
Rot. Bonds3

About N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide (PubChem CID 110324580) has the molecular formula C22H26N2O2 and a molecular weight of 350.46 g/mol. Its IUPAC name is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide
PubChem CID110324580
Molecular FormulaC22H26N2O2
Molecular Weight350.46 g/mol
Exact Mass350.20
IUPAC NameN-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide
SMILESCc1ccc2cc(CNC(=O)C34CC5CC(CC(C5)C3)C4)c(=O)[nH]c2c1
InChIInChI=1S/C22H26N2O2/c1-13-2-3-17-8-18(20(25)24-19(17)4-13)12-23-21(26)22-9-14-5-15(10-22)7-16(6-14)11-22/h2-4,8,14-16H,5-7,9-12H2,1H3,(H,23,26)(H,24,25)
InChIKeyBWEUWMDEDGZHJR-UHFFFAOYSA-N
XLogP3.67
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.46
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]adamantane-1-carboxamide
CID 5084533
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide
CID 110324808
1-cyclohexyl-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324549
1-(4-chlorophenyl)-3-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110324551
3-[(cyclopentylamino)methyl]-7-methyl-1H-quinolin-2-one
CID 863818
2-(3,4-dimethoxyphenyl)-N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324558
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 110324561
3-[[2-(dimethylamino)ethylamino]methyl]-7-methyl-1H-quinolin-2-one
CID 3171688
(7-methyl-2-oxo-1H-quinolin-3-yl)methyl acetate
CID 947564
7-methyl-3-[(thiophen-2-ylmethylamino)methyl]-1H-quinolin-2-one
CID 860989
1-cyclopentyl-3-[(6-methyl-2-oxo-1H-quinolin-3-yl)methyl]urea
CID 110662673
7-methyl-3-[[[(2S)-oxolan-2-yl]methylamino]methyl]-1H-quinolin-2-one
CID 863831

Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide?
The IUPAC name of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide (CID 110324580) is N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide is Cc1ccc2cc(CNC(=O)C34CC5CC(CC(C5)C3)C4)c(=O)[nH]c2c1.
What is the InChIKey of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide?
The InChIKey is BWEUWMDEDGZHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O2/c1-13-2-3-17-8-18(20(25)24-19(17)4-13)12-23-21(26)22-9-14-5-15(10-22)7-16(6-14)11-22/h2-4,8,14-16H,5-7,9-12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide?
N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide has a molecular weight of 350.46 g/mol, XLogP of 3.67, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 110324580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).