7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine

C19H20ClN5 — CID 133281180

IUPAC7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine
SMILESCN(c1ccnc2cc(Cl)ccc12)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C19H20ClN5/c1-24(18-8-10-21-17-12-14(20)6-7-16(17)18)15-4-3-11-25(13-15)19-5-2-9-22-23-19/h2,5-10,12,15H,3-4,11,13H2,1H3
InChIKeyITRGDSJCFMONQP-UHFFFAOYSA-N
MW353.86 g/mol
LogP3.78
Rot. Bonds3

About 7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine

7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine (PubChem CID 133281180) has the molecular formula C19H20ClN5 and a molecular weight of 353.86 g/mol. Its IUPAC name is 7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine.

Molecular Properties

Compound Name7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine
PubChem CID133281180
Molecular FormulaC19H20ClN5
Molecular Weight353.86 g/mol
Exact Mass353.14
IUPAC Name7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine
SMILESCN(c1ccnc2cc(Cl)ccc12)C1CCCN(c2cccnn2)C1
InChIInChI=1S/C19H20ClN5/c1-24(18-8-10-21-17-12-14(20)6-7-16(17)18)15-4-3-11-25(13-15)19-5-2-9-22-23-19/h2,5-10,12,15H,3-4,11,13H2,1H3
InChIKeyITRGDSJCFMONQP-UHFFFAOYSA-N
XLogP3.78
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-6-piperidin-1-yl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281145
N-methyl-N-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]quinoxalin-2-amine
CID 95599803
5-chloro-6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]pyridine-3-carboxamide
CID 133281186
N,2,6-trimethyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrimidin-4-amine
CID 133281123
6-fluoro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281138
N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)-5-pyridin-2-yl-1,3,4-thiadiazol-2-amine
CID 133443297
1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 86885508
N-methyl-5-piperidin-1-ylsulfonyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyridin-2-amine
CID 133281117
6-[methyl-(1-pyridazin-3-ylpiperidin-3-yl)amino]-3H-pyrido[3,2-d]pyrimidin-4-one
CID 167988818
3-[2-(3-chlorophenyl)ethyl]-1-methyl-1-[(3R)-1-pyridazin-3-ylpiperidin-3-yl]urea
CID 165119866
3-amino-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)propanamide;dihydrochloride
CID 119879707
6-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)pyrazin-2-amine
CID 133281189

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine?
The IUPAC name of 7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine (CID 133281180) is 7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine.
What is the SMILES notation for 7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine?
The canonical SMILES for 7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine is CN(c1ccnc2cc(Cl)ccc12)C1CCCN(c2cccnn2)C1.
What is the InChIKey of 7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine?
The InChIKey is ITRGDSJCFMONQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5/c1-24(18-8-10-21-17-12-14(20)6-7-16(17)18)15-4-3-11-25(13-15)19-5-2-9-22-23-19/h2,5-10,12,15H,3-4,11,13H2,1H3.
What are the key properties of 7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine?
7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine has a molecular weight of 353.86 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-methyl-N-(1-pyridazin-3-ylpiperidin-3-yl)quinolin-4-amine is sourced from PubChem (CID 133281180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).