1-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-5-methyl-2-pyridinyl]methyl]-6-methylquinazoline-2,4-dione

C27H31N5O4 — CID 165015888

IUPAC1-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-5-methyl-2-pyridinyl]methyl]-6-methylquinazoline-2,4-dione
SMILESCc1ccc2c(c1)c(=O)[nH]c(=O)n2Cc1cc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c(C)cn1
InChIInChI=1S/C27H31N5O4/c1-17-7-8-23-22(13-17)24(33)29-27(36)32(23)16-20-14-21(18(2)15-28-20)26(35)31-11-9-30(10-12-31)25(34)19-5-3-4-6-19/h7-8,13-15,19H,3-6,9-12,16H2,1-2H3,(H,29,33,36)
InChIKeyYICJYQQLLTZLCW-UHFFFAOYSA-N
MW489.58 g/mol
LogP2.22
Rot. Bonds4

About 1-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-5-methyl-2-pyridinyl]methyl]-6-methylquinazoline-2,4-dione

1-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-5-methyl-2-pyridinyl]methyl]-6-methylquinazoline-2,4-dione (PubChem CID 165015888) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is 1-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-5-methyl-2-pyridinyl]methyl]-6-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name1-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-5-methyl-2-pyridinyl]methyl]-6-methylquinazoline-2,4-dione
PubChem CID165015888
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC Name1-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-5-methyl-2-pyridinyl]methyl]-6-methylquinazoline-2,4-dione
SMILESCc1ccc2c(c1)c(=O)[nH]c(=O)n2Cc1cc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c(C)cn1
InChIInChI=1S/C27H31N5O4/c1-17-7-8-23-22(13-17)24(33)29-27(36)32(23)16-20-14-21(18(2)15-28-20)26(35)31-11-9-30(10-12-31)25(34)19-5-3-4-6-19/h7-8,13-15,19H,3-6,9-12,16H2,1-2H3,(H,29,33,36)
InChIKeyYICJYQQLLTZLCW-UHFFFAOYSA-N
XLogP2.22
TPSA108.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-5-methyl-2-pyridinyl]methyl]-6-methylquinazoline-2,4-dione with MolForge

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Launch Full Analysis

Related Compounds

1-[[2-chloro-5-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-4-fluorophenyl]methyl]quinazoline-2,4-dione
CID 135260244
cyclohexyl-[4-(2-methoxy-5-methylbenzoyl)piperazin-1-yl]methanone
CID 110801029
cyclobutyl-[4-(2,4,5-trimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110809344
cyclohexyl-[4-(4-methylbenzoyl)piperazin-1-yl]methanone
CID 110346969
1-cyclopentyl-7-methyl-8-[4-(4-methylpiperazine-1-carbonyl)piperidine-1-carbonyl]-5H-pyrazolo[4,5-c]quinolin-4-one
CID 136505747
1-[[4-chloro-3-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]methyl]quinazoline-2,4-dione
CID 66546105
cyclopropyl-[4-(2,4,5-trimethylbenzoyl)piperazin-1-yl]methanone
CID 110800460
5-[1-(cyclobutanecarbonyl)piperidin-4-yl]-3-[(2,5-dimethylphenyl)methyl]-6H-triazolo[4,5-d]pyrimidin-7-one
CID 135403306
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 36513690
cyclopentyl-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 8924226
cyclohexyl-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110797446
cyclobutyl-[4-(4-ethoxy-2,5-dimethylbenzoyl)-1,4-diazepan-1-yl]methanone
CID 110809311

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-5-methyl-2-pyridinyl]methyl]-6-methylquinazoline-2,4-dione?
The IUPAC name of 1-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-5-methyl-2-pyridinyl]methyl]-6-methylquinazoline-2,4-dione (CID 165015888) is 1-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-5-methyl-2-pyridinyl]methyl]-6-methylquinazoline-2,4-dione.
What is the SMILES notation for 1-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-5-methyl-2-pyridinyl]methyl]-6-methylquinazoline-2,4-dione?
The canonical SMILES for 1-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-5-methyl-2-pyridinyl]methyl]-6-methylquinazoline-2,4-dione is Cc1ccc2c(c1)c(=O)[nH]c(=O)n2Cc1cc(C(=O)N2CCN(C(=O)C3CCCC3)CC2)c(C)cn1.
What is the InChIKey of 1-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-5-methyl-2-pyridinyl]methyl]-6-methylquinazoline-2,4-dione?
The InChIKey is YICJYQQLLTZLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-17-7-8-23-22(13-17)24(33)29-27(36)32(23)16-20-14-21(18(2)15-28-20)26(35)31-11-9-30(10-12-31)25(34)19-5-3-4-6-19/h7-8,13-15,19H,3-6,9-12,16H2,1-2H3,(H,29,33,36).
What are the key properties of 1-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-5-methyl-2-pyridinyl]methyl]-6-methylquinazoline-2,4-dione?
1-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-5-methyl-2-pyridinyl]methyl]-6-methylquinazoline-2,4-dione has a molecular weight of 489.58 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-5-methyl-2-pyridinyl]methyl]-6-methylquinazoline-2,4-dione is sourced from PubChem (CID 165015888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).