3-(cyclopropylmethyl)-2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one

C21H23N5O — CID 126949702

IUPAC3-(cyclopropylmethyl)-2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCc1ccc(N2CCCC2c2nc3ccccc3c(=O)n2CC2CC2)nn1
InChIInChI=1S/C21H23N5O/c1-14-8-11-19(24-23-14)25-12-4-7-18(25)20-22-17-6-3-2-5-16(17)21(27)26(20)13-15-9-10-15/h2-3,5-6,8,11,15,18H,4,7,9-10,12-13H2,1H3
InChIKeyYGRAQWOKIGIHGM-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.25
Rot. Bonds4

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

3-(cyclopropylmethyl)-2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126949702) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-(cyclopropylmethyl)-2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-(cyclopropylmethyl)-2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126949702
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name3-(cyclopropylmethyl)-2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one
SMILESCc1ccc(N2CCCC2c2nc3ccccc3c(=O)n2CC2CC2)nn1
InChIInChI=1S/C21H23N5O/c1-14-8-11-19(24-23-14)25-12-4-7-18(25)20-22-17-6-3-2-5-16(17)21(27)26(20)13-15-9-10-15/h2-3,5-6,8,11,15,18H,4,7,9-10,12-13H2,1H3
InChIKeyYGRAQWOKIGIHGM-UHFFFAOYSA-N
XLogP3.25
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(cyclopropylmethyl)-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949743
3-(cyclopropylmethyl)-2-[1-(4-methyl-1,3-thiazol-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949849
2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209450
2-[1-(6-cyclopropylpyridazin-3-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950505
3-(2-hydroxyethyl)-2-[1-[6-(trifluoromethyl)pyridazin-3-yl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950879
3-(cyclopropylmethyl)-2-[1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949720
2-[1-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950468
3-(cyclopropylmethyl)-2-[1-[2-(4-methyl-6-oxopyrimidin-1-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949766
3-methyl-2-[1-(6-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949401
3-(cyclopropylmethyl)-2-[1-(1,4-dioxepan-6-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949821
3-cyclopentyl-2-[1-(5-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950043
2-[1-[2-(dimethylamino)pyrimidin-4-yl]pyrrolidin-2-yl]-3-(2,2,2-trifluoroethyl)quinazolin-4-one
CID 126950650

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethyl)-2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-(cyclopropylmethyl)-2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one (CID 126949702) is 3-(cyclopropylmethyl)-2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-(cyclopropylmethyl)-2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-(cyclopropylmethyl)-2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one is Cc1ccc(N2CCCC2c2nc3ccccc3c(=O)n2CC2CC2)nn1.
What is the InChIKey of 3-(cyclopropylmethyl)-2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is YGRAQWOKIGIHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-14-8-11-19(24-23-14)25-12-4-7-18(25)20-22-17-6-3-2-5-16(17)21(27)26(20)13-15-9-10-15/h2-3,5-6,8,11,15,18H,4,7,9-10,12-13H2,1H3.
What are the key properties of 3-(cyclopropylmethyl)-2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one?
3-(cyclopropylmethyl)-2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 361.45 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethyl)-2-[1-(6-methylpyridazin-3-yl)pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126949702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).