4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline

C19H13ClN4O — CID 89417196

IUPAC4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline
SMILESCOc1cncc(-c2ccc3nc(-c4cccnc4)nc(Cl)c3c2)c1
InChIInChI=1S/C19H13ClN4O/c1-25-15-7-14(10-22-11-15)12-4-5-17-16(8-12)18(20)24-19(23-17)13-3-2-6-21-9-13/h2-11H,1H3
InChIKeyQTTOSBCHWRSBSF-UHFFFAOYSA-N
MW348.79 g/mol
LogP4.42
Rot. Bonds3

About 4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline

4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline (PubChem CID 89417196) has the molecular formula C19H13ClN4O and a molecular weight of 348.79 g/mol. Its IUPAC name is 4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline.

Molecular Properties

Compound Name4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline
PubChem CID89417196
Molecular FormulaC19H13ClN4O
Molecular Weight348.79 g/mol
Exact Mass348.08
IUPAC Name4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline
SMILESCOc1cncc(-c2ccc3nc(-c4cccnc4)nc(Cl)c3c2)c1
InChIInChI=1S/C19H13ClN4O/c1-25-15-7-14(10-22-11-15)12-4-5-17-16(8-12)18(20)24-19(23-17)13-3-2-6-21-9-13/h2-11H,1H3
InChIKeyQTTOSBCHWRSBSF-UHFFFAOYSA-N
XLogP4.42
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline?
The IUPAC name of 4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline (CID 89417196) is 4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline.
What is the SMILES notation for 4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline?
The canonical SMILES for 4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline is COc1cncc(-c2ccc3nc(-c4cccnc4)nc(Cl)c3c2)c1.
What is the InChIKey of 4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline?
The InChIKey is QTTOSBCHWRSBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClN4O/c1-25-15-7-14(10-22-11-15)12-4-5-17-16(8-12)18(20)24-19(23-17)13-3-2-6-21-9-13/h2-11H,1H3.
What are the key properties of 4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline?
4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline has a molecular weight of 348.79 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(5-methoxy-3-pyridinyl)-2-pyridin-3-ylquinazoline is sourced from PubChem (CID 89417196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).