7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline

C15H19N3O — CID 110433305

IUPAC7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
SMILESCOc1ccc2c(N3CCCC(C)C3)ncnc2c1
InChIInChI=1S/C15H19N3O/c1-11-4-3-7-18(9-11)15-13-6-5-12(19-2)8-14(13)16-10-17-15/h5-6,8,10-11H,3-4,7,9H2,1-2H3
InChIKeyLBUDHJBDISILJP-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.87
Rot. Bonds2

About 7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline

7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline (PubChem CID 110433305) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline.

Molecular Properties

Compound Name7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
PubChem CID110433305
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
SMILESCOc1ccc2c(N3CCCC(C)C3)ncnc2c1
InChIInChI=1S/C15H19N3O/c1-11-4-3-7-18(9-11)15-13-6-5-12(19-2)8-14(13)16-10-17-15/h5-6,8,10-11H,3-4,7,9H2,1-2H3
InChIKeyLBUDHJBDISILJP-UHFFFAOYSA-N
XLogP2.87
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline?
The IUPAC name of 7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline (CID 110433305) is 7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline.
What is the SMILES notation for 7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline?
The canonical SMILES for 7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline is COc1ccc2c(N3CCCC(C)C3)ncnc2c1.
What is the InChIKey of 7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline?
The InChIKey is LBUDHJBDISILJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-4-3-7-18(9-11)15-13-6-5-12(19-2)8-14(13)16-10-17-15/h5-6,8,10-11H,3-4,7,9H2,1-2H3.
What are the key properties of 7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline?
7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline has a molecular weight of 257.34 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline is sourced from PubChem (CID 110433305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).