2-chloro-4-(6-methoxy-3-pyridinyl)quinazoline

C14H10ClN3O — CID 134202247

IUPAC2-chloro-4-(6-methoxy-3-pyridinyl)quinazoline
SMILESCOc1ccc(-c2nc(Cl)nc3ccccc23)cn1
InChIInChI=1S/C14H10ClN3O/c1-19-12-7-6-9(8-16-12)13-10-4-2-3-5-11(10)17-14(15)18-13/h2-8H,1H3
InChIKeySROQJQVATBCJTQ-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.35
Rot. Bonds2

About 2-chloro-4-(6-methoxy-3-pyridinyl)quinazoline

2-chloro-4-(6-methoxy-3-pyridinyl)quinazoline (PubChem CID 134202247) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 2-chloro-4-(6-methoxy-3-pyridinyl)quinazoline.

Molecular Properties

Compound Name2-chloro-4-(6-methoxy-3-pyridinyl)quinazoline
PubChem CID134202247
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name2-chloro-4-(6-methoxy-3-pyridinyl)quinazoline
SMILESCOc1ccc(-c2nc(Cl)nc3ccccc23)cn1
InChIInChI=1S/C14H10ClN3O/c1-19-12-7-6-9(8-16-12)13-10-4-2-3-5-11(10)17-14(15)18-13/h2-8H,1H3
InChIKeySROQJQVATBCJTQ-UHFFFAOYSA-N
XLogP3.35
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(6-methoxy-3-pyridinyl)quinazoline?
The IUPAC name of 2-chloro-4-(6-methoxy-3-pyridinyl)quinazoline (CID 134202247) is 2-chloro-4-(6-methoxy-3-pyridinyl)quinazoline.
What is the SMILES notation for 2-chloro-4-(6-methoxy-3-pyridinyl)quinazoline?
The canonical SMILES for 2-chloro-4-(6-methoxy-3-pyridinyl)quinazoline is COc1ccc(-c2nc(Cl)nc3ccccc23)cn1.
What is the InChIKey of 2-chloro-4-(6-methoxy-3-pyridinyl)quinazoline?
The InChIKey is SROQJQVATBCJTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c1-19-12-7-6-9(8-16-12)13-10-4-2-3-5-11(10)17-14(15)18-13/h2-8H,1H3.
What are the key properties of 2-chloro-4-(6-methoxy-3-pyridinyl)quinazoline?
2-chloro-4-(6-methoxy-3-pyridinyl)quinazoline has a molecular weight of 271.71 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(6-methoxy-3-pyridinyl)quinazoline is sourced from PubChem (CID 134202247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).