6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-quinazolin-5-one

C23H26N4O2 — CID 146344668

IUPAC6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ncc2c(n1)CCC(CCN1CCC(c3noc4ccccc34)CC1)C2=O
InChIInChI=1S/C23H26N4O2/c1-15-24-14-19-20(25-15)7-6-17(23(19)28)10-13-27-11-8-16(9-12-27)22-18-4-2-3-5-21(18)29-26-22/h2-5,14,16-17H,6-13H2,1H3
InChIKeyYGRCJJLROZSJRG-UHFFFAOYSA-N
MW390.49 g/mol
LogP3.94
Rot. Bonds4

About 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-quinazolin-5-one

6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-quinazolin-5-one (PubChem CID 146344668) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-quinazolin-5-one.

Molecular Properties

Compound Name6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-quinazolin-5-one
PubChem CID146344668
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-quinazolin-5-one
SMILESCc1ncc2c(n1)CCC(CCN1CCC(c3noc4ccccc34)CC1)C2=O
InChIInChI=1S/C23H26N4O2/c1-15-24-14-19-20(25-15)7-6-17(23(19)28)10-13-27-11-8-16(9-12-27)22-18-4-2-3-5-21(18)29-26-22/h2-5,14,16-17H,6-13H2,1H3
InChIKeyYGRCJJLROZSJRG-UHFFFAOYSA-N
XLogP3.94
TPSA72.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-quinazolin-5-one?
The IUPAC name of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-quinazolin-5-one (CID 146344668) is 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-quinazolin-5-one.
What is the SMILES notation for 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-quinazolin-5-one?
The canonical SMILES for 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-quinazolin-5-one is Cc1ncc2c(n1)CCC(CCN1CCC(c3noc4ccccc34)CC1)C2=O.
What is the InChIKey of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-quinazolin-5-one?
The InChIKey is YGRCJJLROZSJRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-15-24-14-19-20(25-15)7-6-17(23(19)28)10-13-27-11-8-16(9-12-27)22-18-4-2-3-5-21(18)29-26-22/h2-5,14,16-17H,6-13H2,1H3.
What are the key properties of 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-quinazolin-5-one?
6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-quinazolin-5-one has a molecular weight of 390.49 g/mol, XLogP of 3.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[4-(1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-2-methyl-7,8-dihydro-6H-quinazolin-5-one is sourced from PubChem (CID 146344668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).