7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline

C23H27N3O2 — CID 11545321

IUPAC7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline
SMILESCCCOc1cc2c(N3CCCC(c4ccccc4)C3)ncnc2cc1OC
InChIInChI=1S/C23H27N3O2/c1-3-12-28-22-13-19-20(14-21(22)27-2)24-16-25-23(19)26-11-7-10-18(15-26)17-8-5-4-6-9-17/h4-6,8-9,13-14,16,18H,3,7,10-12,15H2,1-2H3
InChIKeyADRRQOWUXMNGNP-UHFFFAOYSA-N
MW377.49 g/mol
LogP4.81
Rot. Bonds6

About 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline

7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline (PubChem CID 11545321) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline.

Molecular Properties

Compound Name7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline
PubChem CID11545321
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline
SMILESCCCOc1cc2c(N3CCCC(c4ccccc4)C3)ncnc2cc1OC
InChIInChI=1S/C23H27N3O2/c1-3-12-28-22-13-19-20(14-21(22)27-2)24-16-25-23(19)26-11-7-10-18(15-26)17-8-5-4-6-9-17/h4-6,8-9,13-14,16,18H,3,7,10-12,15H2,1-2H3
InChIKeyADRRQOWUXMNGNP-UHFFFAOYSA-N
XLogP4.81
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline?
The IUPAC name of 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline (CID 11545321) is 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline.
What is the SMILES notation for 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline?
The canonical SMILES for 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline is CCCOc1cc2c(N3CCCC(c4ccccc4)C3)ncnc2cc1OC.
What is the InChIKey of 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline?
The InChIKey is ADRRQOWUXMNGNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-3-12-28-22-13-19-20(14-21(22)27-2)24-16-25-23(19)26-11-7-10-18(15-26)17-8-5-4-6-9-17/h4-6,8-9,13-14,16,18H,3,7,10-12,15H2,1-2H3.
What are the key properties of 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline?
7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline has a molecular weight of 377.49 g/mol, XLogP of 4.81, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-propoxyquinazoline is sourced from PubChem (CID 11545321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).