3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione

C26H34N4O5 — CID 51352765

IUPAC3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione
SMILESCOc1ccc2c(c1)c(=O)n(CC1CCC(C(=O)N3CCN(C(=O)C4CC4)CC3)CC1)c(=O)n2C
InChIInChI=1S/C26H34N4O5/c1-27-22-10-9-20(35-2)15-21(22)25(33)30(26(27)34)16-17-3-5-18(6-4-17)23(31)28-11-13-29(14-12-28)24(32)19-7-8-19/h9-10,15,17-19H,3-8,11-14,16H2,1-2H3
InChIKeyVLNGSMWPFFTCFW-UHFFFAOYSA-N
MW482.58 g/mol
LogP1.60
Rot. Bonds5

About 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione

3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione (PubChem CID 51352765) has the molecular formula C26H34N4O5 and a molecular weight of 482.58 g/mol. Its IUPAC name is 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione.

Molecular Properties

Compound Name3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione
PubChem CID51352765
Molecular FormulaC26H34N4O5
Molecular Weight482.58 g/mol
Exact Mass482.25
IUPAC Name3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione
SMILESCOc1ccc2c(c1)c(=O)n(CC1CCC(C(=O)N3CCN(C(=O)C4CC4)CC3)CC1)c(=O)n2C
InChIInChI=1S/C26H34N4O5/c1-27-22-10-9-20(35-2)15-21(22)25(33)30(26(27)34)16-17-3-5-18(6-4-17)23(31)28-11-13-29(14-12-28)24(32)19-7-8-19/h9-10,15,17-19H,3-8,11-14,16H2,1-2H3
InChIKeyVLNGSMWPFFTCFW-UHFFFAOYSA-N
XLogP1.60
TPSA93.85 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.58
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione?
The IUPAC name of 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione (CID 51352765) is 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione.
What is the SMILES notation for 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione?
The canonical SMILES for 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione is COc1ccc2c(c1)c(=O)n(CC1CCC(C(=O)N3CCN(C(=O)C4CC4)CC3)CC1)c(=O)n2C.
What is the InChIKey of 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione?
The InChIKey is VLNGSMWPFFTCFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O5/c1-27-22-10-9-20(35-2)15-21(22)25(33)30(26(27)34)16-17-3-5-18(6-4-17)23(31)28-11-13-29(14-12-28)24(32)19-7-8-19/h9-10,15,17-19H,3-8,11-14,16H2,1-2H3.
What are the key properties of 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione?
3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione has a molecular weight of 482.58 g/mol, XLogP of 1.60, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[4-(cyclopropanecarbonyl)piperazine-1-carbonyl]cyclohexyl]methyl]-6-methoxy-1-methylquinazoline-2,4-dione is sourced from PubChem (CID 51352765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).