3-[4-(1-butylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one

C24H29N3O2 — CID 11545613

IUPAC3-[4-(1-butylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one
SMILESCCCCN1CCC(Oc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1
InChIInChI=1S/C24H29N3O2/c1-3-4-15-26-16-13-21(14-17-26)29-20-11-9-19(10-12-20)27-18(2)25-23-8-6-5-7-22(23)24(27)28/h5-12,21H,3-4,13-17H2,1-2H3
InChIKeyFBQZQGMQBBKOGP-UHFFFAOYSA-N
MW391.52 g/mol
LogP4.34
Rot. Bonds6

About 3-[4-(1-butylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one

3-[4-(1-butylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one (PubChem CID 11545613) has the molecular formula C24H29N3O2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 3-[4-(1-butylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one.

Molecular Properties

Compound Name3-[4-(1-butylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one
PubChem CID11545613
Molecular FormulaC24H29N3O2
Molecular Weight391.52 g/mol
Exact Mass391.23
IUPAC Name3-[4-(1-butylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one
SMILESCCCCN1CCC(Oc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1
InChIInChI=1S/C24H29N3O2/c1-3-4-15-26-16-13-21(14-17-26)29-20-11-9-19(10-12-20)27-18(2)25-23-8-6-5-7-22(23)24(27)28/h5-12,21H,3-4,13-17H2,1-2H3
InChIKeyFBQZQGMQBBKOGP-UHFFFAOYSA-N
XLogP4.34
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1-butylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one?
The IUPAC name of 3-[4-(1-butylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one (CID 11545613) is 3-[4-(1-butylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one.
What is the SMILES notation for 3-[4-(1-butylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one?
The canonical SMILES for 3-[4-(1-butylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one is CCCCN1CCC(Oc2ccc(-n3c(C)nc4ccccc4c3=O)cc2)CC1.
What is the InChIKey of 3-[4-(1-butylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one?
The InChIKey is FBQZQGMQBBKOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2/c1-3-4-15-26-16-13-21(14-17-26)29-20-11-9-19(10-12-20)27-18(2)25-23-8-6-5-7-22(23)24(27)28/h5-12,21H,3-4,13-17H2,1-2H3.
What are the key properties of 3-[4-(1-butylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one?
3-[4-(1-butylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one has a molecular weight of 391.52 g/mol, XLogP of 4.34, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1-butylpiperidin-4-yl)oxyphenyl]-2-methylquinazolin-4-one is sourced from PubChem (CID 11545613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).