3-butoxy-2-chloroquinazolin-4-one

C12H13ClN2O2 — CID 70145328

IUPAC3-butoxy-2-chloroquinazolin-4-one
SMILESCCCCOn1c(Cl)nc2ccccc2c1=O
InChIInChI=1S/C12H13ClN2O2/c1-2-3-8-17-15-11(16)9-6-4-5-7-10(9)14-12(15)13/h4-7H,2-3,8H2,1H3
InChIKeyCCLLAARKUCMCBP-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.28
Rot. Bonds4

About 3-butoxy-2-chloroquinazolin-4-one

3-butoxy-2-chloroquinazolin-4-one (PubChem CID 70145328) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-butoxy-2-chloroquinazolin-4-one.

Molecular Properties

Compound Name3-butoxy-2-chloroquinazolin-4-one
PubChem CID70145328
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name3-butoxy-2-chloroquinazolin-4-one
SMILESCCCCOn1c(Cl)nc2ccccc2c1=O
InChIInChI=1S/C12H13ClN2O2/c1-2-3-8-17-15-11(16)9-6-4-5-7-10(9)14-12(15)13/h4-7H,2-3,8H2,1H3
InChIKeyCCLLAARKUCMCBP-UHFFFAOYSA-N
XLogP2.28
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-phenylethenyl)-3-propoxyquinazolin-4-one
CID 58776627
(2-methyl-4-oxoquinazolin-3-yl) 4-butoxybenzoate
CID 6737947
2-benzyl-3-butylquinazolin-4-one
CID 12563436
2-butoxy-3H-quinazolin-4-one
CID 136999718
2-amino-3-butylquinazolin-4-one
CID 71653207
2-ethyl-3-pentylquinazolin-4-one
CID 529110
3-[(4-chlorophenyl)methoxy]-2-phenylquinazolin-4-one
CID 3774397
ethane;2-ethyl-3-methylquinazolin-4-one
CID 143999559
3-amino-2-heptylquinazolin-4-one
CID 154013236
2-(bromomethyl)-3-methoxyquinazolin-4-one
CID 59898751
2-(chloromethyl)-3-hexan-2-ylquinazolin-4-one
CID 62200086
butyl-[(1S)-1-(3-methyl-4-oxoquinazolin-2-yl)propyl]azanium
CID 7288561

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-2-chloroquinazolin-4-one?
The IUPAC name of 3-butoxy-2-chloroquinazolin-4-one (CID 70145328) is 3-butoxy-2-chloroquinazolin-4-one.
What is the SMILES notation for 3-butoxy-2-chloroquinazolin-4-one?
The canonical SMILES for 3-butoxy-2-chloroquinazolin-4-one is CCCCOn1c(Cl)nc2ccccc2c1=O.
What is the InChIKey of 3-butoxy-2-chloroquinazolin-4-one?
The InChIKey is CCLLAARKUCMCBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-2-3-8-17-15-11(16)9-6-4-5-7-10(9)14-12(15)13/h4-7H,2-3,8H2,1H3.
What are the key properties of 3-butoxy-2-chloroquinazolin-4-one?
3-butoxy-2-chloroquinazolin-4-one has a molecular weight of 252.70 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-2-chloroquinazolin-4-one is sourced from PubChem (CID 70145328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).