7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline

C19H20N4O3S — CID 162748489

IUPAC7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline
SMILESCOc1ccc2c(C3CCN(S(=O)(=O)c4cccnc4)CC3)ncnc2c1
InChIInChI=1S/C19H20N4O3S/c1-26-15-4-5-17-18(11-15)21-13-22-19(17)14-6-9-23(10-7-14)27(24,25)16-3-2-8-20-12-16/h2-5,8,11-14H,6-7,9-10H2,1H3
InChIKeyBXFHURNTTYRYIQ-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.60
Rot. Bonds4

About 7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline

7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline (PubChem CID 162748489) has the molecular formula C19H20N4O3S and a molecular weight of 384.46 g/mol. Its IUPAC name is 7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline.

Molecular Properties

Compound Name7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline
PubChem CID162748489
Molecular FormulaC19H20N4O3S
Molecular Weight384.46 g/mol
Exact Mass384.13
IUPAC Name7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline
SMILESCOc1ccc2c(C3CCN(S(=O)(=O)c4cccnc4)CC3)ncnc2c1
InChIInChI=1S/C19H20N4O3S/c1-26-15-4-5-17-18(11-15)21-13-22-19(17)14-6-9-23(10-7-14)27(24,25)16-3-2-8-20-12-16/h2-5,8,11-14H,6-7,9-10H2,1H3
InChIKeyBXFHURNTTYRYIQ-UHFFFAOYSA-N
XLogP2.60
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline?
The IUPAC name of 7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline (CID 162748489) is 7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline.
What is the SMILES notation for 7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline?
The canonical SMILES for 7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline is COc1ccc2c(C3CCN(S(=O)(=O)c4cccnc4)CC3)ncnc2c1.
What is the InChIKey of 7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline?
The InChIKey is BXFHURNTTYRYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3S/c1-26-15-4-5-17-18(11-15)21-13-22-19(17)14-6-9-23(10-7-14)27(24,25)16-3-2-8-20-12-16/h2-5,8,11-14H,6-7,9-10H2,1H3.
What are the key properties of 7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline?
7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline has a molecular weight of 384.46 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-4-(1-pyridin-3-ylsulfonylpiperidin-4-yl)quinazoline is sourced from PubChem (CID 162748489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).