7-chloro-4-[(2-chloro-3-pyridinyl)oxy]quinazoline

C13H7Cl2N3O — CID 86972132

IUPAC7-chloro-4-[(2-chloro-3-pyridinyl)oxy]quinazoline
SMILESClc1ccc2c(Oc3cccnc3Cl)ncnc2c1
InChIInChI=1S/C13H7Cl2N3O/c14-8-3-4-9-10(6-8)17-7-18-13(9)19-11-2-1-5-16-12(11)15/h1-7H
InChIKeyISCGLBAQCFGIKR-UHFFFAOYSA-N
MW292.13 g/mol
LogP4.12
Rot. Bonds2

About 7-chloro-4-[(2-chloro-3-pyridinyl)oxy]quinazoline

7-chloro-4-[(2-chloro-3-pyridinyl)oxy]quinazoline (PubChem CID 86972132) has the molecular formula C13H7Cl2N3O and a molecular weight of 292.13 g/mol. Its IUPAC name is 7-chloro-4-[(2-chloro-3-pyridinyl)oxy]quinazoline.

Molecular Properties

Compound Name7-chloro-4-[(2-chloro-3-pyridinyl)oxy]quinazoline
PubChem CID86972132
Molecular FormulaC13H7Cl2N3O
Molecular Weight292.13 g/mol
Exact Mass291.00
IUPAC Name7-chloro-4-[(2-chloro-3-pyridinyl)oxy]quinazoline
SMILESClc1ccc2c(Oc3cccnc3Cl)ncnc2c1
InChIInChI=1S/C13H7Cl2N3O/c14-8-3-4-9-10(6-8)17-7-18-13(9)19-11-2-1-5-16-12(11)15/h1-7H
InChIKeyISCGLBAQCFGIKR-UHFFFAOYSA-N
XLogP4.12
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.13
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(2-chlorophenoxy)quinazoline
CID 31538122
7-chloro-4-methylquinazoline;ethane
CID 142542904
4-(2,3-difluorophenoxy)quinazolin-7-amine
CID 65336135
7-chloro-N-methoxy-N-methylquinazolin-4-amine
CID 119091213
methyl 2-[4-[(2-chloro-3-pyridinyl)oxy]pyrazolo[5,4-d]pyrimidin-1-yl]acetate
CID 133308021
2-chloro-3-(4-chloro-2-nitrophenoxy)pyridine
CID 12569050
5-(5-bromo-6-chloropyrimidin-4-yl)oxyquinoline
CID 114071647
3-(7-chloroquinazolin-4-yl)oxy-N-phenylbenzamide
CID 86870711
5-(6-chloro-5-propylpyrimidin-4-yl)oxyquinoline
CID 103044702
7-bromo-4-(7-bromoquinazolin-4-yl)oxyquinazoline
CID 70383438
1-[6-(7-chloroquinazolin-4-yl)oxy-3-pyridinyl]-3-(3-cyclopentyloxy-4-methoxyphenyl)urea
CID 2814126
5-(6-chloro-5-propan-2-ylpyrimidin-4-yl)oxyquinoline
CID 103044674

Frequently Asked Questions

What is the IUPAC name of 7-chloro-4-[(2-chloro-3-pyridinyl)oxy]quinazoline?
The IUPAC name of 7-chloro-4-[(2-chloro-3-pyridinyl)oxy]quinazoline (CID 86972132) is 7-chloro-4-[(2-chloro-3-pyridinyl)oxy]quinazoline.
What is the SMILES notation for 7-chloro-4-[(2-chloro-3-pyridinyl)oxy]quinazoline?
The canonical SMILES for 7-chloro-4-[(2-chloro-3-pyridinyl)oxy]quinazoline is Clc1ccc2c(Oc3cccnc3Cl)ncnc2c1.
What is the InChIKey of 7-chloro-4-[(2-chloro-3-pyridinyl)oxy]quinazoline?
The InChIKey is ISCGLBAQCFGIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl2N3O/c14-8-3-4-9-10(6-8)17-7-18-13(9)19-11-2-1-5-16-12(11)15/h1-7H.
What are the key properties of 7-chloro-4-[(2-chloro-3-pyridinyl)oxy]quinazoline?
7-chloro-4-[(2-chloro-3-pyridinyl)oxy]quinazoline has a molecular weight of 292.13 g/mol, XLogP of 4.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-4-[(2-chloro-3-pyridinyl)oxy]quinazoline is sourced from PubChem (CID 86972132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).