1-(2-chloroquinazolin-4-yl)-6-methoxy-2,3-dihydroquinolin-4-one

C18H14ClN3O2 — CID 71543087

IUPAC1-(2-chloroquinazolin-4-yl)-6-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)C(=O)CCN2c1nc(Cl)nc2ccccc12
InChIInChI=1S/C18H14ClN3O2/c1-24-11-6-7-15-13(10-11)16(23)8-9-22(15)17-12-4-2-3-5-14(12)20-18(19)21-17/h2-7,10H,8-9H2,1H3
InChIKeyVFZIKGSBJHUGBA-UHFFFAOYSA-N
MW339.78 g/mol
LogP4.02
Rot. Bonds2

About 1-(2-chloroquinazolin-4-yl)-6-methoxy-2,3-dihydroquinolin-4-one

1-(2-chloroquinazolin-4-yl)-6-methoxy-2,3-dihydroquinolin-4-one (PubChem CID 71543087) has the molecular formula C18H14ClN3O2 and a molecular weight of 339.78 g/mol. Its IUPAC name is 1-(2-chloroquinazolin-4-yl)-6-methoxy-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(2-chloroquinazolin-4-yl)-6-methoxy-2,3-dihydroquinolin-4-one
PubChem CID71543087
Molecular FormulaC18H14ClN3O2
Molecular Weight339.78 g/mol
Exact Mass339.08
IUPAC Name1-(2-chloroquinazolin-4-yl)-6-methoxy-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)C(=O)CCN2c1nc(Cl)nc2ccccc12
InChIInChI=1S/C18H14ClN3O2/c1-24-11-6-7-15-13(10-11)16(23)8-9-22(15)17-12-4-2-3-5-14(12)20-18(19)21-17/h2-7,10H,8-9H2,1H3
InChIKeyVFZIKGSBJHUGBA-UHFFFAOYSA-N
XLogP4.02
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.78
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chloroquinazolin-4-yl)-6-methoxy-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(2-chloroquinazolin-4-yl)-6-methoxy-2,3-dihydroquinolin-4-one (CID 71543087) is 1-(2-chloroquinazolin-4-yl)-6-methoxy-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(2-chloroquinazolin-4-yl)-6-methoxy-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(2-chloroquinazolin-4-yl)-6-methoxy-2,3-dihydroquinolin-4-one is COc1ccc2c(c1)C(=O)CCN2c1nc(Cl)nc2ccccc12.
What is the InChIKey of 1-(2-chloroquinazolin-4-yl)-6-methoxy-2,3-dihydroquinolin-4-one?
The InChIKey is VFZIKGSBJHUGBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2/c1-24-11-6-7-15-13(10-11)16(23)8-9-22(15)17-12-4-2-3-5-14(12)20-18(19)21-17/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(2-chloroquinazolin-4-yl)-6-methoxy-2,3-dihydroquinolin-4-one?
1-(2-chloroquinazolin-4-yl)-6-methoxy-2,3-dihydroquinolin-4-one has a molecular weight of 339.78 g/mol, XLogP of 4.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloroquinazolin-4-yl)-6-methoxy-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 71543087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).