3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one

C19H23N5O — CID 126949500

IUPAC3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCn1ccnc1CCN1CCCC1c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C19H23N5O/c1-22-13-10-20-17(22)9-12-24-11-5-8-16(24)18-21-15-7-4-3-6-14(15)19(25)23(18)2/h3-4,6-7,10,13,16H,5,8-9,11-12H2,1-2H3
InChIKeyPGHPXMMCMIXNFX-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.05
Rot. Bonds4

About 3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one

3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one (PubChem CID 126949500) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
PubChem CID126949500
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
SMILESCn1ccnc1CCN1CCCC1c1nc2ccccc2c(=O)n1C
InChIInChI=1S/C19H23N5O/c1-22-13-10-20-17(22)9-12-24-11-5-8-16(24)18-21-15-7-4-3-6-14(15)19(25)23(18)2/h3-4,6-7,10,13,16H,5,8-9,11-12H2,1-2H3
InChIKeyPGHPXMMCMIXNFX-UHFFFAOYSA-N
XLogP2.05
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-cyclopentyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950018
3-methyl-2-[1-[(1-methyl-6-oxopyrimidin-2-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949440
3-methyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949462
3-methyl-2-[1-[(2-methylpyrimidin-5-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949452
4-[2-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]ethyl]morpholin-3-one
CID 126949530
3-methyl-2-[1-[(1-methyl-6-oxo-2-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949438
3-methyl-2-[1-(1,2-oxazol-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949519
3-methyl-2-[1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949480
3-methyl-2-[1-(1,2-thiazol-4-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949508
2-[1-[4-(cyclopropylmethyl)-3-oxopyrazin-2-yl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949621
2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949357
2-[1-[(4-hydroxyoxan-4-yl)methyl]pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949581

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one?
The IUPAC name of 3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one (CID 126949500) is 3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one.
What is the SMILES notation for 3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one?
The canonical SMILES for 3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one is Cn1ccnc1CCN1CCCC1c1nc2ccccc2c(=O)n1C.
What is the InChIKey of 3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one?
The InChIKey is PGHPXMMCMIXNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-22-13-10-20-17(22)9-12-24-11-5-8-16(24)18-21-15-7-4-3-6-14(15)19(25)23(18)2/h3-4,6-7,10,13,16H,5,8-9,11-12H2,1-2H3.
What are the key properties of 3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one?
3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one has a molecular weight of 337.43 g/mol, XLogP of 2.05, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one is sourced from PubChem (CID 126949500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).