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

C23H28N2O2 — CID 5084533

IUPACN-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]adamantane-1-carboxamide
SMILESCc1ccc2cc(CCNC(=O)C34CC5CC(CC(C5)C3)C4)c(=O)[nH]c2c1
InChIInChI=1S/C23H28N2O2/c1-14-2-3-18-10-19(21(26)25-20(18)6-14)4-5-24-22(27)23-11-15-7-16(12-23)9-17(8-15)13-23/h2-3,6,10,15-17H,4-5,7-9,11-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyCRYNAJQTPIAXBT-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.71
Rot. Bonds4

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

N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]adamantane-1-carboxamide (PubChem CID 5084533) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]adamantane-1-carboxamide.

Molecular Properties

Compound NameN-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]adamantane-1-carboxamide
PubChem CID5084533
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]adamantane-1-carboxamide
SMILESCc1ccc2cc(CCNC(=O)C34CC5CC(CC(C5)C3)C4)c(=O)[nH]c2c1
InChIInChI=1S/C23H28N2O2/c1-14-2-3-18-10-19(21(26)25-20(18)6-14)4-5-24-22(27)23-11-15-7-16(12-23)9-17(8-15)13-23/h2-3,6,10,15-17H,4-5,7-9,11-13H2,1H3,(H,24,27)(H,25,26)
InChIKeyCRYNAJQTPIAXBT-UHFFFAOYSA-N
XLogP3.71
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(7-methyl-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide
CID 110324580
N-[(7-methoxy-2-oxo-1H-quinolin-3-yl)methyl]adamantane-1-carboxamide
CID 110324808
1-(4-chlorophenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]cyclopentane-1-carboxamide
CID 4279408
1-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-(4-methylphenyl)thiourea
CID 7136867
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-phenylbenzamide
CID 7080098
2,4-dichloro-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 4147135
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide
CID 3469942
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]pyridine-2-carboxamide
CID 110662758
(E)-2-methyl-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-phenylprop-2-enamide
CID 110616795
3-(7-methyl-2-oxo-1H-quinolin-3-yl)-N-pentylpropanamide
CID 110331188
4-(4-methoxyphenyl)-N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]-4-oxobutanamide
CID 110415264
N-[2-(6-methyl-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 71684039

Frequently Asked Questions

What is the IUPAC name of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]adamantane-1-carboxamide?
The IUPAC name of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]adamantane-1-carboxamide (CID 5084533) is N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]adamantane-1-carboxamide.
What is the SMILES notation for N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]adamantane-1-carboxamide?
The canonical SMILES for N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]adamantane-1-carboxamide is Cc1ccc2cc(CCNC(=O)C34CC5CC(CC(C5)C3)C4)c(=O)[nH]c2c1.
What is the InChIKey of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]adamantane-1-carboxamide?
The InChIKey is CRYNAJQTPIAXBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-14-2-3-18-10-19(21(26)25-20(18)6-14)4-5-24-22(27)23-11-15-7-16(12-23)9-17(8-15)13-23/h2-3,6,10,15-17H,4-5,7-9,11-13H2,1H3,(H,24,27)(H,25,26).
What are the key properties of N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]adamantane-1-carboxamide?
N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]adamantane-1-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(7-methyl-2-oxo-1H-quinolin-3-yl)ethyl]adamantane-1-carboxamide is sourced from PubChem (CID 5084533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).