6-chloro-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one

C17H17ClN4O2 — CID 136563185

IUPAC6-chloro-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CN2CCC(c3ncco3)CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H17ClN4O2/c18-12-1-2-14-13(9-12)16(23)21-15(20-14)10-22-6-3-11(4-7-22)17-19-5-8-24-17/h1-2,5,8-9,11H,3-4,6-7,10H2,(H,20,21,23)
InChIKeyLOCADKDPOUUKLH-UHFFFAOYSA-N
MW344.80 g/mol
LogP2.94
Rot. Bonds3

About 6-chloro-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one

6-chloro-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one (PubChem CID 136563185) has the molecular formula C17H17ClN4O2 and a molecular weight of 344.80 g/mol. Its IUPAC name is 6-chloro-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-chloro-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
PubChem CID136563185
Molecular FormulaC17H17ClN4O2
Molecular Weight344.80 g/mol
Exact Mass344.10
IUPAC Name6-chloro-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
SMILESO=c1[nH]c(CN2CCC(c3ncco3)CC2)nc2ccc(Cl)cc12
InChIInChI=1S/C17H17ClN4O2/c18-12-1-2-14-13(9-12)16(23)21-15(20-14)10-22-6-3-11(4-7-22)17-19-5-8-24-17/h1-2,5,8-9,11H,3-4,6-7,10H2,(H,20,21,23)
InChIKeyLOCADKDPOUUKLH-UHFFFAOYSA-N
XLogP2.94
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.80
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one?
The IUPAC name of 6-chloro-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one (CID 136563185) is 6-chloro-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-chloro-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one?
The canonical SMILES for 6-chloro-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one is O=c1[nH]c(CN2CCC(c3ncco3)CC2)nc2ccc(Cl)cc12.
What is the InChIKey of 6-chloro-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one?
The InChIKey is LOCADKDPOUUKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O2/c18-12-1-2-14-13(9-12)16(23)21-15(20-14)10-22-6-3-11(4-7-22)17-19-5-8-24-17/h1-2,5,8-9,11H,3-4,6-7,10H2,(H,20,21,23).
What are the key properties of 6-chloro-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one?
6-chloro-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one has a molecular weight of 344.80 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[[4-(1,3-oxazol-2-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one is sourced from PubChem (CID 136563185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).