2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

C22H21N5O2 — CID 166260630

IUPAC2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCC(n3cnc4ccccc4c3=O)CC1)CCOC2
InChIInChI=1S/C22H21N5O2/c23-12-15-11-16-13-29-10-7-19(16)25-21(15)26-8-5-17(6-9-26)27-14-24-20-4-2-1-3-18(20)22(27)28/h1-4,11,14,17H,5-10,13H2
InChIKeyWKMNHDNQOVPBNX-UHFFFAOYSA-N
MW387.44 g/mol
LogP2.58
Rot. Bonds2

About 2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile

2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (PubChem CID 166260630) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
PubChem CID166260630
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile
SMILESN#Cc1cc2c(nc1N1CCC(n3cnc4ccccc4c3=O)CC1)CCOC2
InChIInChI=1S/C22H21N5O2/c23-12-15-11-16-13-29-10-7-19(16)25-21(15)26-8-5-17(6-9-26)27-14-24-20-4-2-1-3-18(20)22(27)28/h1-4,11,14,17H,5-10,13H2
InChIKeyWKMNHDNQOVPBNX-UHFFFAOYSA-N
XLogP2.58
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The IUPAC name of 2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile (CID 166260630) is 2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The canonical SMILES for 2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is N#Cc1cc2c(nc1N1CCC(n3cnc4ccccc4c3=O)CC1)CCOC2.
What is the InChIKey of 2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
The InChIKey is WKMNHDNQOVPBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c23-12-15-11-16-13-29-10-7-19(16)25-21(15)26-8-5-17(6-9-26)27-14-24-20-4-2-1-3-18(20)22(27)28/h1-4,11,14,17H,5-10,13H2.
What are the key properties of 2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile?
2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile has a molecular weight of 387.44 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-oxoquinazolin-3-yl)piperidin-1-yl]-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carbonitrile is sourced from PubChem (CID 166260630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).