(3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone

C16H13N3O — CID 105121617

IUPAC(3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone
SMILESCc1cc(C(=O)c2ccc3ncccc3c2)c(C)nn1
InChIInChI=1S/C16H13N3O/c1-10-8-14(11(2)19-18-10)16(20)13-5-6-15-12(9-13)4-3-7-17-15/h3-9H,1-2H3
InChIKeyGGQFOMWCXDPZGN-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.87
Rot. Bonds2

About (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone

(3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone (PubChem CID 105121617) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone.

Molecular Properties

Compound Name(3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone
PubChem CID105121617
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name(3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone
SMILESCc1cc(C(=O)c2ccc3ncccc3c2)c(C)nn1
InChIInChI=1S/C16H13N3O/c1-10-8-14(11(2)19-18-10)16(20)13-5-6-15-12(9-13)4-3-7-17-15/h3-9H,1-2H3
InChIKeyGGQFOMWCXDPZGN-UHFFFAOYSA-N
XLogP2.87
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylthiophen-3-yl)-quinolin-6-ylmethanone
CID 102830747
(3-methyl-2-pyridinyl)-quinolin-6-ylmethanone
CID 81220326
(4-bromo-3,5-dimethylphenyl)-quinolin-6-ylmethanone
CID 114329700
(3-chloro-4-methylphenyl)-quinolin-6-ylmethanone
CID 115790583
ethane;quinoline-6-carboxylic acid
CID 91364452
pyridin-3-yl(quinolin-6-yl)methanone
CID 63097549
(2-fluoro-4,6-dimethylphenyl)-quinolin-6-ylmethanone
CID 106880775
(3-chloro-2-fluorophenyl)-quinolin-6-ylmethanone
CID 81220410
(5-fluoro-2-methoxyphenyl)-quinolin-6-ylmethanone
CID 78917671
2-(methylamino)-1-quinolin-6-ylethanone
CID 84669481
(2-hydroxy-3,4,5-trimethoxyphenyl)-quinolin-6-ylmethanone
CID 122182218
(3-ethyl-6-methylpyridazin-4-yl)-quinolin-3-ylmethanone
CID 105081132

Frequently Asked Questions

What is the IUPAC name of (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone?
The IUPAC name of (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone (CID 105121617) is (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone.
What is the SMILES notation for (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone?
The canonical SMILES for (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone is Cc1cc(C(=O)c2ccc3ncccc3c2)c(C)nn1.
What is the InChIKey of (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone?
The InChIKey is GGQFOMWCXDPZGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c1-10-8-14(11(2)19-18-10)16(20)13-5-6-15-12(9-13)4-3-7-17-15/h3-9H,1-2H3.
What are the key properties of (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone?
(3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone has a molecular weight of 263.30 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,6-dimethylpyridazin-4-yl)-quinolin-6-ylmethanone is sourced from PubChem (CID 105121617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).