7-methoxy-4-(3-phenylpiperidin-1-yl)-6-(2-pyridin-2-ylethoxy)quinazoline

C27H28N4O2 — CID 24945621

IUPAC7-methoxy-4-(3-phenylpiperidin-1-yl)-6-(2-pyridin-2-ylethoxy)quinazoline
SMILESCOc1cc2ncnc(N3CCCC(c4ccccc4)C3)c2cc1OCCc1ccccn1
InChIInChI=1S/C27H28N4O2/c1-32-25-17-24-23(16-26(25)33-15-12-22-11-5-6-13-28-22)27(30-19-29-24)31-14-7-10-21(18-31)20-8-3-2-4-9-20/h2-6,8-9,11,13,16-17,19,21H,7,10,12,14-15,18H2,1H3
InChIKeyDWBBOQWADWMQGE-UHFFFAOYSA-N
MW440.55 g/mol
LogP5.04
Rot. Bonds7

About 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-(2-pyridin-2-ylethoxy)quinazoline

7-methoxy-4-(3-phenylpiperidin-1-yl)-6-(2-pyridin-2-ylethoxy)quinazoline (PubChem CID 24945621) has the molecular formula C27H28N4O2 and a molecular weight of 440.55 g/mol. Its IUPAC name is 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-(2-pyridin-2-ylethoxy)quinazoline.

Molecular Properties

Compound Name7-methoxy-4-(3-phenylpiperidin-1-yl)-6-(2-pyridin-2-ylethoxy)quinazoline
PubChem CID24945621
Molecular FormulaC27H28N4O2
Molecular Weight440.55 g/mol
Exact Mass440.22
IUPAC Name7-methoxy-4-(3-phenylpiperidin-1-yl)-6-(2-pyridin-2-ylethoxy)quinazoline
SMILESCOc1cc2ncnc(N3CCCC(c4ccccc4)C3)c2cc1OCCc1ccccn1
InChIInChI=1S/C27H28N4O2/c1-32-25-17-24-23(16-26(25)33-15-12-22-11-5-6-13-28-22)27(30-19-29-24)31-14-7-10-21(18-31)20-8-3-2-4-9-20/h2-6,8-9,11,13,16-17,19,21H,7,10,12,14-15,18H2,1H3
InChIKeyDWBBOQWADWMQGE-UHFFFAOYSA-N
XLogP5.04
TPSA60.37 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.55
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-(2-pyridin-2-ylethoxy)quinazoline?
The IUPAC name of 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-(2-pyridin-2-ylethoxy)quinazoline (CID 24945621) is 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-(2-pyridin-2-ylethoxy)quinazoline.
What is the SMILES notation for 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-(2-pyridin-2-ylethoxy)quinazoline?
The canonical SMILES for 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-(2-pyridin-2-ylethoxy)quinazoline is COc1cc2ncnc(N3CCCC(c4ccccc4)C3)c2cc1OCCc1ccccn1.
What is the InChIKey of 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-(2-pyridin-2-ylethoxy)quinazoline?
The InChIKey is DWBBOQWADWMQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N4O2/c1-32-25-17-24-23(16-26(25)33-15-12-22-11-5-6-13-28-22)27(30-19-29-24)31-14-7-10-21(18-31)20-8-3-2-4-9-20/h2-6,8-9,11,13,16-17,19,21H,7,10,12,14-15,18H2,1H3.
What are the key properties of 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-(2-pyridin-2-ylethoxy)quinazoline?
7-methoxy-4-(3-phenylpiperidin-1-yl)-6-(2-pyridin-2-ylethoxy)quinazoline has a molecular weight of 440.55 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(3-phenylpiperidin-1-yl)-6-(2-pyridin-2-ylethoxy)quinazoline is sourced from PubChem (CID 24945621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).