N-[3-[methyl(naphthalen-1-ylmethyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide

C25H31N3O2 — CID 123856748

IUPACN-[3-[methyl(naphthalen-1-ylmethyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
SMILESCN(Cc1cccc2ccccc12)C(=O)CCNC(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C25H31N3O2/c1-27(18-21-11-6-10-19-8-2-4-13-22(19)21)24(29)15-16-26-25(30)28-17-7-12-20-9-3-5-14-23(20)28/h2,4,6,8,10-11,13-14,20H,3,5,7,9,12,15-18H2,1H3,(H,26,30)
InChIKeyAUMBWGTXYRDESN-UHFFFAOYSA-N
MW405.54 g/mol
LogP4.68
Rot. Bonds5

About N-[3-[methyl(naphthalen-1-ylmethyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide

N-[3-[methyl(naphthalen-1-ylmethyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide (PubChem CID 123856748) has the molecular formula C25H31N3O2 and a molecular weight of 405.54 g/mol. Its IUPAC name is N-[3-[methyl(naphthalen-1-ylmethyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound NameN-[3-[methyl(naphthalen-1-ylmethyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
PubChem CID123856748
Molecular FormulaC25H31N3O2
Molecular Weight405.54 g/mol
Exact Mass405.24
IUPAC NameN-[3-[methyl(naphthalen-1-ylmethyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
SMILESCN(Cc1cccc2ccccc12)C(=O)CCNC(=O)N1CCCC2CCCC=C21
InChIInChI=1S/C25H31N3O2/c1-27(18-21-11-6-10-19-8-2-4-13-22(19)21)24(29)15-16-26-25(30)28-17-7-12-20-9-3-5-14-23(20)28/h2,4,6,8,10-11,13-14,20H,3,5,7,9,12,15-18H2,1H3,(H,26,30)
InChIKeyAUMBWGTXYRDESN-UHFFFAOYSA-N
XLogP4.68
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.54
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[3-[methyl(propyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
CID 123208252
N-[4-[methyl(naphthalen-1-ylmethyl)amino]-4-oxobutyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline-1-carboxamide
CID 66795023
N-[3-[4-(2-methylphenyl)piperazin-1-yl]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide
CID 123492861
N-benzyl-3-[cyclopropyl(naphthalen-1-ylmethyl)amino]-N-methylpropanamide
CID 84562999
4-hydroxy-N-methyl-N-(naphthalen-1-ylmethyl)butanamide
CID 115163076
5-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-N-methyl-N-(naphthalen-1-ylmethyl)-5-oxopentanamide
CID 66794984
6-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-methyl-N-(naphthalen-1-ylmethyl)-6-oxohexanamide
CID 66802286
(3S)-N-[3-[benzyl(methyl)amino]-3-oxopropyl]-3-ethoxypiperidine-1-carboxamide
CID 95309425
N-[3-[benzyl(methyl)amino]-3-oxopropyl]-4-(cyclohexylmethyl)piperazine-1-carboxamide
CID 86881037
3-acetamido-N-(isoquinolin-5-ylmethyl)-N-methylpropanamide
CID 131927016
5-(3,4,4a,5,6,7-hexahydro-2H-quinolin-1-yl)-N-benzyl-N-[2-(dimethylamino)ethyl]-5-oxopentanamide
CID 123360631
3-amino-N-methyl-N-(naphthalen-1-ylmethyl)cyclobutane-1-carboxamide
CID 115161636

Frequently Asked Questions

What is the IUPAC name of N-[3-[methyl(naphthalen-1-ylmethyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide?
The IUPAC name of N-[3-[methyl(naphthalen-1-ylmethyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide (CID 123856748) is N-[3-[methyl(naphthalen-1-ylmethyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for N-[3-[methyl(naphthalen-1-ylmethyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide?
The canonical SMILES for N-[3-[methyl(naphthalen-1-ylmethyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide is CN(Cc1cccc2ccccc12)C(=O)CCNC(=O)N1CCCC2CCCC=C21.
What is the InChIKey of N-[3-[methyl(naphthalen-1-ylmethyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide?
The InChIKey is AUMBWGTXYRDESN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O2/c1-27(18-21-11-6-10-19-8-2-4-13-22(19)21)24(29)15-16-26-25(30)28-17-7-12-20-9-3-5-14-23(20)28/h2,4,6,8,10-11,13-14,20H,3,5,7,9,12,15-18H2,1H3,(H,26,30).
What are the key properties of N-[3-[methyl(naphthalen-1-ylmethyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide?
N-[3-[methyl(naphthalen-1-ylmethyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide has a molecular weight of 405.54 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[methyl(naphthalen-1-ylmethyl)amino]-3-oxopropyl]-3,4,4a,5,6,7-hexahydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 123856748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).