(1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine

C25H29N3 — CID 142492328

IUPAC(1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine
SMILESC=c1ccc(-c2ccc3nc(C4CCN(C)CC4)ccc3c2)c/c1=C/N(C)C
InChIInChI=1S/C25H29N3/c1-18-5-6-20(16-23(18)17-27(2)3)21-7-9-25-22(15-21)8-10-24(26-25)19-11-13-28(4)14-12-19/h5-10,15-17,19H,1,11-14H2,2-4H3/b23-17-
InChIKeyCKCVFOYBHHVTTC-QJOMJCCJSA-N
MW371.53 g/mol
LogP3.42
Rot. Bonds3

About (1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine

(1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine (PubChem CID 142492328) has the molecular formula C25H29N3 and a molecular weight of 371.53 g/mol. Its IUPAC name is (1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine.

Molecular Properties

Compound Name(1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine
PubChem CID142492328
Molecular FormulaC25H29N3
Molecular Weight371.53 g/mol
Exact Mass371.24
IUPAC Name(1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine
SMILESC=c1ccc(-c2ccc3nc(C4CCN(C)CC4)ccc3c2)c/c1=C/N(C)C
InChIInChI=1S/C25H29N3/c1-18-5-6-20(16-23(18)17-27(2)3)21-7-9-25-22(15-21)8-10-24(26-25)19-11-13-28(4)14-12-19/h5-10,15-17,19H,1,11-14H2,2-4H3/b23-17-
InChIKeyCKCVFOYBHHVTTC-QJOMJCCJSA-N
XLogP3.42
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.53
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine with MolForge

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Launch Full Analysis

Related Compounds

2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline
CID 175802649
(1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine
CID 153382936
6-(1-ethylpiperidin-4-yl)-2-(2-methylindazol-5-yl)quinoline;2-(2-methylindazol-5-yl)-6-piperidin-4-ylquinoline;6-(2-methylindazol-5-yl)-2-piperidin-4-ylquinoline
CID 157096267
2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine
CID 138668007
2-cyclopropylquinoline-6-carboxylic acid;hydrochloride
CID 86664097
(1Z)-N,N-dimethyl-1-[6-methylidene-3-(2-methyl-3H-imidazo[4,5-c]pyridin-6-yl)cyclohexa-2,4-dien-1-ylidene]methanamine;ethane;2,2,4,6,6-pentamethylpiperidine
CID 153382935
6-ethenyl-2-(oxan-4-yl)quinoline
CID 170708021
ethane;8-fluoro-6-[5-methyl-6-methylidene-1-(2-methylprop-1-enyl)pyridazin-3-yl]-2-(1-methylpiperidin-4-yl)quinoline
CID 142492563
1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 58097390
2-[4-(4-methylpiperazin-1-yl)phenyl]quinolin-6-ol
CID 58362670
2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
CID 115041246
N,N-dimethyl-2-[6-(1-methylpiperidin-4-yl)indazol-1-yl]ethanamine
CID 18007566

Frequently Asked Questions

What is the IUPAC name of (1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine?
The IUPAC name of (1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine (CID 142492328) is (1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine.
What is the SMILES notation for (1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine?
The canonical SMILES for (1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine is C=c1ccc(-c2ccc3nc(C4CCN(C)CC4)ccc3c2)c/c1=C/N(C)C.
What is the InChIKey of (1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine?
The InChIKey is CKCVFOYBHHVTTC-QJOMJCCJSA-N. The full InChI is InChI=1S/C25H29N3/c1-18-5-6-20(16-23(18)17-27(2)3)21-7-9-25-22(15-21)8-10-24(26-25)19-11-13-28(4)14-12-19/h5-10,15-17,19H,1,11-14H2,2-4H3/b23-17-.
What are the key properties of (1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine?
(1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine has a molecular weight of 371.53 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine is sourced from PubChem (CID 142492328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).