N-(1-adamantylmethyl)-6-methoxy-N,2-dimethylquinoline-3-carboxamide

C24H30N2O2 — CID 37365648

IUPACN-(1-adamantylmethyl)-6-methoxy-N,2-dimethylquinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)N(C)CC34CC5CC(CC(C5)C3)C4)cc2c1
InChIInChI=1S/C24H30N2O2/c1-15-21(10-19-9-20(28-3)4-5-22(19)25-15)23(27)26(2)14-24-11-16-6-17(12-24)8-18(7-16)13-24/h4-5,9-10,16-18H,6-8,11-14H2,1-3H3
InChIKeyMUNAJUTWRQEWBI-UHFFFAOYSA-N
MW378.52 g/mol
LogP4.84
Rot. Bonds4

About N-(1-adamantylmethyl)-6-methoxy-N,2-dimethylquinoline-3-carboxamide

N-(1-adamantylmethyl)-6-methoxy-N,2-dimethylquinoline-3-carboxamide (PubChem CID 37365648) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-(1-adamantylmethyl)-6-methoxy-N,2-dimethylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(1-adamantylmethyl)-6-methoxy-N,2-dimethylquinoline-3-carboxamide
PubChem CID37365648
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC NameN-(1-adamantylmethyl)-6-methoxy-N,2-dimethylquinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)N(C)CC34CC5CC(CC(C5)C3)C4)cc2c1
InChIInChI=1S/C24H30N2O2/c1-15-21(10-19-9-20(28-3)4-5-22(19)25-15)23(27)26(2)14-24-11-16-6-17(12-24)8-18(7-16)13-24/h4-5,9-10,16-18H,6-8,11-14H2,1-3H3
InChIKeyMUNAJUTWRQEWBI-UHFFFAOYSA-N
XLogP4.84
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantylmethyl)-6-methoxy-N,2-dimethylquinoline-3-carboxamide?
The IUPAC name of N-(1-adamantylmethyl)-6-methoxy-N,2-dimethylquinoline-3-carboxamide (CID 37365648) is N-(1-adamantylmethyl)-6-methoxy-N,2-dimethylquinoline-3-carboxamide.
What is the SMILES notation for N-(1-adamantylmethyl)-6-methoxy-N,2-dimethylquinoline-3-carboxamide?
The canonical SMILES for N-(1-adamantylmethyl)-6-methoxy-N,2-dimethylquinoline-3-carboxamide is COc1ccc2nc(C)c(C(=O)N(C)CC34CC5CC(CC(C5)C3)C4)cc2c1.
What is the InChIKey of N-(1-adamantylmethyl)-6-methoxy-N,2-dimethylquinoline-3-carboxamide?
The InChIKey is MUNAJUTWRQEWBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O2/c1-15-21(10-19-9-20(28-3)4-5-22(19)25-15)23(27)26(2)14-24-11-16-6-17(12-24)8-18(7-16)13-24/h4-5,9-10,16-18H,6-8,11-14H2,1-3H3.
What are the key properties of N-(1-adamantylmethyl)-6-methoxy-N,2-dimethylquinoline-3-carboxamide?
N-(1-adamantylmethyl)-6-methoxy-N,2-dimethylquinoline-3-carboxamide has a molecular weight of 378.52 g/mol, XLogP of 4.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantylmethyl)-6-methoxy-N,2-dimethylquinoline-3-carboxamide is sourced from PubChem (CID 37365648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).