6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

C22H25N5O3 — CID 126949956

IUPAC6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCCC2c2nc3ccccc3c(=O)n2C2CCCC2)[nH]c1=O
InChIInChI=1S/C22H25N5O3/c1-25-19(28)13-18(24-22(25)30)26-12-6-11-17(26)20-23-16-10-5-4-9-15(16)21(29)27(20)14-7-2-3-8-14/h4-5,9-10,13-14,17H,2-3,6-8,11-12H2,1H3,(H,24,30)
InChIKeyFVKMLDNXDKEKTD-UHFFFAOYSA-N
MW407.47 g/mol
LogP2.24
Rot. Bonds3

About 6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione

6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (PubChem CID 126949956) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
PubChem CID126949956
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCCC2c2nc3ccccc3c(=O)n2C2CCCC2)[nH]c1=O
InChIInChI=1S/C22H25N5O3/c1-25-19(28)13-18(24-22(25)30)26-12-6-11-17(26)20-23-16-10-5-4-9-15(16)21(29)27(20)14-7-2-3-8-14/h4-5,9-10,13-14,17H,2-3,6-8,11-12H2,1H3,(H,24,30)
InChIKeyFVKMLDNXDKEKTD-UHFFFAOYSA-N
XLogP2.24
TPSA92.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-cyclopentyl-2-(1-pyridin-4-ylpyrrolidin-2-yl)quinazolin-4-one
CID 126949917
3-cyclopentyl-2-[1-(5-methylpyrazin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126950043
3-cyclopentyl-2-[1-(3-methyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949951
3-cyclopentyl-2-[1-[(1-methyl-6-oxo-3-pyridinyl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949996
3-cyclopentyl-2-[1-[2-(triazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949965
2-[1-(5-fluoropyrimidin-2-yl)pyrrolidin-2-yl]-3-methylquinazolin-4-one
CID 126949331
3-cyclopentyl-2-[1-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949943
3-cyclopentyl-2-[1-[(2-methyl-3-oxopyridazin-4-yl)methyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126949969
3-(2-hydroxyethyl)-2-[1-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-2-yl]quinazolin-4-one
CID 126951068
3-cyclopentyl-2-[1-[2-(1-methylimidazol-2-yl)ethyl]pyrrolidin-2-yl]quinazolin-4-one
CID 126950018
3-cyclopentyl-2-[1-(pyrimidin-5-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949991
3-cyclopentyl-2-[1-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidin-2-yl]quinazolin-4-one
CID 126949944

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione (CID 126949956) is 6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is Cn1c(=O)cc(N2CCCC2c2nc3ccccc3c(=O)n2C2CCCC2)[nH]c1=O.
What is the InChIKey of 6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is FVKMLDNXDKEKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-25-19(28)13-18(24-22(25)30)26-12-6-11-17(26)20-23-16-10-5-4-9-15(16)21(29)27(20)14-7-2-3-8-14/h4-5,9-10,13-14,17H,2-3,6-8,11-12H2,1H3,(H,24,30).
What are the key properties of 6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione?
6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 407.47 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-cyclopentyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]-3-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 126949956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).