4-(2-chloroquinazolin-4-yl)naphthalene-1,7-diol

C18H11ClN2O2 — CID 135867879

IUPAC4-(2-chloroquinazolin-4-yl)naphthalene-1,7-diol
SMILESOc1ccc2c(-c3nc(Cl)nc4ccccc34)ccc(O)c2c1
InChIInChI=1S/C18H11ClN2O2/c19-18-20-15-4-2-1-3-13(15)17(21-18)12-7-8-16(23)14-9-10(22)5-6-11(12)14/h1-9,22-23H
InChIKeyQCNOCJQHKNJEKR-UHFFFAOYSA-N
MW322.75 g/mol
LogP4.51
Rot. Bonds1

About 4-(2-chloroquinazolin-4-yl)naphthalene-1,7-diol

4-(2-chloroquinazolin-4-yl)naphthalene-1,7-diol (PubChem CID 135867879) has the molecular formula C18H11ClN2O2 and a molecular weight of 322.75 g/mol. Its IUPAC name is 4-(2-chloroquinazolin-4-yl)naphthalene-1,7-diol.

Molecular Properties

Compound Name4-(2-chloroquinazolin-4-yl)naphthalene-1,7-diol
PubChem CID135867879
Molecular FormulaC18H11ClN2O2
Molecular Weight322.75 g/mol
Exact Mass322.05
IUPAC Name4-(2-chloroquinazolin-4-yl)naphthalene-1,7-diol
SMILESOc1ccc2c(-c3nc(Cl)nc4ccccc34)ccc(O)c2c1
InChIInChI=1S/C18H11ClN2O2/c19-18-20-15-4-2-1-3-13(15)17(21-18)12-7-8-16(23)14-9-10(22)5-6-11(12)14/h1-9,22-23H
InChIKeyQCNOCJQHKNJEKR-UHFFFAOYSA-N
XLogP4.51
TPSA66.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chloroquinazolin-4-yl)naphthalene-1,7-diol?
The IUPAC name of 4-(2-chloroquinazolin-4-yl)naphthalene-1,7-diol (CID 135867879) is 4-(2-chloroquinazolin-4-yl)naphthalene-1,7-diol.
What is the SMILES notation for 4-(2-chloroquinazolin-4-yl)naphthalene-1,7-diol?
The canonical SMILES for 4-(2-chloroquinazolin-4-yl)naphthalene-1,7-diol is Oc1ccc2c(-c3nc(Cl)nc4ccccc34)ccc(O)c2c1.
What is the InChIKey of 4-(2-chloroquinazolin-4-yl)naphthalene-1,7-diol?
The InChIKey is QCNOCJQHKNJEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClN2O2/c19-18-20-15-4-2-1-3-13(15)17(21-18)12-7-8-16(23)14-9-10(22)5-6-11(12)14/h1-9,22-23H.
What are the key properties of 4-(2-chloroquinazolin-4-yl)naphthalene-1,7-diol?
4-(2-chloroquinazolin-4-yl)naphthalene-1,7-diol has a molecular weight of 322.75 g/mol, XLogP of 4.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloroquinazolin-4-yl)naphthalene-1,7-diol is sourced from PubChem (CID 135867879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).