6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one

C14H18N2O2 — CID 135518226

IUPAC6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one
SMILESCCCCC(C)(O)c1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C14H18N2O2/c1-3-4-7-14(2,18)10-5-6-12-11(8-10)13(17)16-9-15-12/h5-6,8-9,18H,3-4,7H2,1-2H3,(H,15,16,17)
InChIKeyPDKOPBVAYPBOGB-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.32
Rot. Bonds4

About 6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one

6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one (PubChem CID 135518226) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one
PubChem CID135518226
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one
SMILESCCCCC(C)(O)c1ccc2nc[nH]c(=O)c2c1
InChIInChI=1S/C14H18N2O2/c1-3-4-7-14(2,18)10-5-6-12-11(8-10)13(17)16-9-15-12/h5-6,8-9,18H,3-4,7H2,1-2H3,(H,15,16,17)
InChIKeyPDKOPBVAYPBOGB-UHFFFAOYSA-N
XLogP2.32
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

6-[hydroxy(diphenyl)methyl]-3H-quinazolin-4-one
CID 135800573
N-(4-oxo-3H-quinazolin-6-yl)heptane-1-sulfonamide
CID 136574524
2-quinolin-6-ylheptan-2-ol
CID 81215851
ethyl 4-oxo-3H-quinazoline-6-carboxylate
CID 135742218
6-[dichloro(cyclobutyl)methyl]-3H-quinazolin-4-one
CID 170753479
(E)-N-ethyl-3-(4-oxo-3H-quinazolin-6-yl)prop-2-enamide
CID 141169249
6-(2-hydroxyacetyl)-3H-quinazolin-4-one
CID 158775272
4-(2-methylhexan-2-yl)-1H-pyrimidin-6-one
CID 137472121
N-(4-oxo-3H-quinazolin-6-yl)benzamide
CID 174817735
3-(2-hydroxyhexan-2-yl)phenol
CID 21280529
6-phenyl-3H-quinazolin-4-one
CID 135741302
2-(3,4-dimethylphenyl)decan-2-ol
CID 65147034

Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one?
The IUPAC name of 6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one (CID 135518226) is 6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one.
What is the SMILES notation for 6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one?
The canonical SMILES for 6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one is CCCCC(C)(O)c1ccc2nc[nH]c(=O)c2c1.
What is the InChIKey of 6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one?
The InChIKey is PDKOPBVAYPBOGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-3-4-7-14(2,18)10-5-6-12-11(8-10)13(17)16-9-15-12/h5-6,8-9,18H,3-4,7H2,1-2H3,(H,15,16,17).
What are the key properties of 6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one?
6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one has a molecular weight of 246.31 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyhexan-2-yl)-3H-quinazolin-4-one is sourced from PubChem (CID 135518226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).