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

C22H26N2O3 — CID 110324808

IUPACN-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide
SMILESCOc1ccc2cc(CNC(=O)C34CC5CC(CC(C5)C3)C4)c(=O)[nH]c2c1
InChIInChI=1S/C22H26N2O3/c1-27-18-3-2-16-7-17(20(25)24-19(16)8-18)12-23-21(26)22-9-13-4-14(10-22)6-15(5-13)11-22/h2-3,7-8,13-15H,4-6,9-12H2,1H3,(H,23,26)(H,24,25)
InChIKeyIPQPBOLOMBKGPV-UHFFFAOYSA-N
MW366.46 g/mol
LogP3.37
Rot. Bonds4

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

N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide (PubChem CID 110324808) has the molecular formula C22H26N2O3 and a molecular weight of 366.46 g/mol. Its IUPAC name is N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide
PubChem CID110324808
Molecular FormulaC22H26N2O3
Molecular Weight366.46 g/mol
Exact Mass366.19
IUPAC NameN-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide
SMILESCOc1ccc2cc(CNC(=O)C34CC5CC(CC(C5)C3)C4)c(=O)[nH]c2c1
InChIInChI=1S/C22H26N2O3/c1-27-18-3-2-16-7-17(20(25)24-19(16)8-18)12-23-21(26)22-9-13-4-14(10-22)6-15(5-13)11-22/h2-3,7-8,13-15H,4-6,9-12H2,1H3,(H,23,26)(H,24,25)
InChIKeyIPQPBOLOMBKGPV-UHFFFAOYSA-N
XLogP3.37
TPSA71.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide
CID 110324580
3-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-1,1-dimethylurea
CID 110324804
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]adamantane-1-carboxamide
CID 5084533
2-(4-chlorophenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324770
2-(4-ethoxyphenyl)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324772
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]morpholine-4-carboxamide
CID 110324806
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-(4-methylphenoxy)acetamide
CID 110324791
2-(4-chlorophenoxy)-N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110324775
N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(4-methoxyphenyl)acetamide
CID 4258688
N-[[4-[(2,4-dimethoxyphenyl)methylcarbamoyl]phenyl]methyl]adamantane-1-carboxamide
CID 46586709
2-cyclohexyl-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 4156629
2-chloro-N-[2-(7-methoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136774

Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide?
The IUPAC name of N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide (CID 110324808) is N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide?
The canonical SMILES for N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide is COc1ccc2cc(CNC(=O)C34CC5CC(CC(C5)C3)C4)c(=O)[nH]c2c1.
What is the InChIKey of N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide?
The InChIKey is IPQPBOLOMBKGPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O3/c1-27-18-3-2-16-7-17(20(25)24-19(16)8-18)12-23-21(26)22-9-13-4-14(10-22)6-15(5-13)11-22/h2-3,7-8,13-15H,4-6,9-12H2,1H3,(H,23,26)(H,24,25).
What are the key properties of N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide?
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide has a molecular weight of 366.46 g/mol, XLogP of 3.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide is sourced from PubChem (CID 110324808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).