N-methyl-1-[8-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]naphthalen-2-yl]ethenamine

C26H26N4 — CID 145408713

IUPACN-methyl-1-[8-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]naphthalen-2-yl]ethenamine
SMILESC=C(NC)c1ccc2cccc(N3CCCc4cc(-c5cnn(C)c5)ccc43)c2c1
InChIInChI=1S/C26H26N4/c1-18(27-2)20-10-9-19-6-4-8-26(24(19)15-20)30-13-5-7-22-14-21(11-12-25(22)30)23-16-28-29(3)17-23/h4,6,8-12,14-17,27H,1,5,7,13H2,2-3H3
InChIKeyFFXCXCHRCHIUKK-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.51
Rot. Bonds4

About N-methyl-1-[8-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]naphthalen-2-yl]ethenamine

N-methyl-1-[8-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]naphthalen-2-yl]ethenamine (PubChem CID 145408713) has the molecular formula C26H26N4 and a molecular weight of 394.52 g/mol. Its IUPAC name is N-methyl-1-[8-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]naphthalen-2-yl]ethenamine.

Molecular Properties

Compound NameN-methyl-1-[8-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]naphthalen-2-yl]ethenamine
PubChem CID145408713
Molecular FormulaC26H26N4
Molecular Weight394.52 g/mol
Exact Mass394.22
IUPAC NameN-methyl-1-[8-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]naphthalen-2-yl]ethenamine
SMILESC=C(NC)c1ccc2cccc(N3CCCc4cc(-c5cnn(C)c5)ccc43)c2c1
InChIInChI=1S/C26H26N4/c1-18(27-2)20-10-9-19-6-4-8-26(24(19)15-20)30-13-5-7-22-14-21(11-12-25(22)30)23-16-28-29(3)17-23/h4,6,8-12,14-17,27H,1,5,7,13H2,2-3H3
InChIKeyFFXCXCHRCHIUKK-UHFFFAOYSA-N
XLogP5.51
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-methyl-9-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,2,3,5-tetrahydro-1-benzazepin-4-one
CID 147623415
N-methyl-2-[4-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)pyrazol-1-yl]ethanamine
CID 147895995
hexane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091683
1-hexan-3-yl-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 139398312
acetonitrile;acetylene;ethane;1-methyl-5-(1-methylpyrazol-4-yl)-2,3-dihydroindole
CID 145091659
5-(1-methylpyrazol-4-yl)-2,3-dihydroindol-1-amine
CID 176983699
ethane;1-methyl-7-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinoline
CID 145058420
3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbaldehyde
CID 139398865
1-[5-hexyl-3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)pyrazol-4-yl]-N-methylmethanamine
CID 139398245
4-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-6-(4-methoxyphenyl)-N-methyl-1,3-dihydroisoindole-2-carboxamide
CID 171417307
1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-2-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121373054
1-[3-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
CID 121365523

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[8-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]naphthalen-2-yl]ethenamine?
The IUPAC name of N-methyl-1-[8-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]naphthalen-2-yl]ethenamine (CID 145408713) is N-methyl-1-[8-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]naphthalen-2-yl]ethenamine.
What is the SMILES notation for N-methyl-1-[8-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]naphthalen-2-yl]ethenamine?
The canonical SMILES for N-methyl-1-[8-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]naphthalen-2-yl]ethenamine is C=C(NC)c1ccc2cccc(N3CCCc4cc(-c5cnn(C)c5)ccc43)c2c1.
What is the InChIKey of N-methyl-1-[8-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]naphthalen-2-yl]ethenamine?
The InChIKey is FFXCXCHRCHIUKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4/c1-18(27-2)20-10-9-19-6-4-8-26(24(19)15-20)30-13-5-7-22-14-21(11-12-25(22)30)23-16-28-29(3)17-23/h4,6,8-12,14-17,27H,1,5,7,13H2,2-3H3.
What are the key properties of N-methyl-1-[8-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]naphthalen-2-yl]ethenamine?
N-methyl-1-[8-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]naphthalen-2-yl]ethenamine has a molecular weight of 394.52 g/mol, XLogP of 5.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[8-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]naphthalen-2-yl]ethenamine is sourced from PubChem (CID 145408713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).