3-(cyclopropylmethyl)-2-[1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-2-yl]quinazolin-4-one

C23H26N6O2 — CID 126949672

IUPAC3-(cyclopropylmethyl)-2-[1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCN(C)c1ccc(C(=O)N2CCCC2c2nc3ccccc3c(=O)n2CC2CC2)nn1
InChIInChI=1S/C23H26N6O2/c1-27(2)20-12-11-18(25-26-20)23(31)28-13-5-8-19(28)21-24-17-7-4-3-6-16(17)22(30)29(21)14-15-9-10-15/h3-4,6-7,11-12,15,19H,5,8-10,13-14H2,1-2H3
InChIKeyYHQQORQDUHMGQL-UHFFFAOYSA-N
MW418.50 g/mol
LogP2.64
Rot. Bonds5

About 3-(cyclopropylmethyl)-2-[1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-2-yl]quinazolin-4-one

3-(cyclopropylmethyl)-2-[1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126949672) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-[1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-[1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126949672
Molecular FormulaC23H26N6O2
Molecular Weight418.50 g/mol
Exact Mass418.21
IUPAC Name3-(cyclopropylmethyl)-2-[1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCN(C)c1ccc(C(=O)N2CCCC2c2nc3ccccc3c(=O)n2CC2CC2)nn1
InChIInChI=1S/C23H26N6O2/c1-27(2)20-12-11-18(25-26-20)23(31)28-13-5-8-19(28)21-24-17-7-4-3-6-16(17)22(30)29(21)14-15-9-10-15/h3-4,6-7,11-12,15,19H,5,8-10,13-14H2,1-2H3
InChIKeyYHQQORQDUHMGQL-UHFFFAOYSA-N
XLogP2.64
TPSA84.22 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.50
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(cyclopropylmethyl)-2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949702
3-methyl-2-[1-(1-methyltriazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949236
3-(2-hydroxyethyl)-2-[1-(pyrimidine-2-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950746
2-[1-(cyclopentanecarbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950695
2-[1-(6-oxo-1H-pyrimidine-4-carbonyl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 137209711
3-(2-methoxyethyl)-2-[1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951110
3-(2-methoxyethyl)-2-[1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951128
3-(cyclopropylmethyl)-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949743
3-(cyclopropylmethyl)-2-[1-(1,4-dioxepan-6-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949821
3-(cyclopropylmethyl)-2-[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949849
2-[1-(2,5-dimethylfuran-3-carbonyl)pyrrolidin-2-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126950700
3-methyl-5-[2-[4-oxo-3-(2,2,2-trifluoroethyl)quinazolin-2-yl]pyrrolidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 126950447

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-[1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-2-[1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-2-yl]quinazolin-4-one (CID 126949672) is 3-(cyclopropylmethyl)-2-[1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-[1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-2-[1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-2-yl]quinazolin-4-one is CN(C)c1ccc(C(=O)N2CCCC2c2nc3ccccc3c(=O)n2CC2CC2)nn1.
What is the InChIKey of 3-(cyclopropylmethyl)-2-[1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is YHQQORQDUHMGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-27(2)20-12-11-18(25-26-20)23(31)28-13-5-8-19(28)21-24-17-7-4-3-6-16(17)22(30)29(21)14-15-9-10-15/h3-4,6-7,11-12,15,19H,5,8-10,13-14H2,1-2H3.
What are the key properties of 3-(cyclopropylmethyl)-2-[1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-2-yl]quinazolin-4-one?
3-(cyclopropylmethyl)-2-[1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 418.50 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2-[1-[6-(dimethylamino)pyridazine-3-carbonyl]pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126949672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).