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

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

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Related Compounds

6-chloro-2-[(4-methylpiperidin-1-yl)methyl]-3H-quinazolin-4-one
CID 135799571
2-[[(3S)-3-aminopyrrolidin-1-yl]methyl]-6-chloro-3H-quinazolin-4-one;hydrochloride
CID 137156467
6-chloro-2-[[4-(furan-2-carbonyl)piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135783142
2-[[3-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-6-chloro-3H-quinazolin-4-one
CID 137092622
6-chloro-2-[[(2R)-2-(1,3-thiazol-2-yl)morpholin-4-yl]methyl]-3H-quinazolin-4-one
CID 136801819
2-(1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,2-c]pyridin-5-ylmethyl)-6-chloro-3H-quinazolin-4-one;hydrochloride
CID 137091731
7-chloro-2-[[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 154832505
6-chloro-2-[[(3S)-3-(2-hydroxyethoxy)piperidin-1-yl]methyl]-3H-quinazolin-4-one
CID 136817537
6-chloro-2-[[4-(2,3-dichlorophenyl)sulfonylpiperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135875431
7-chloro-2-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-3H-quinazolin-4-one
CID 135951727
2-[[4-(4-bromophenyl)sulfonylpiperazin-1-yl]methyl]-6-chloro-3H-quinazolin-4-one
CID 135940479
N-[(2S)-butan-2-yl]-2-[4-[(6-chloro-4-oxo-3H-quinazolin-2-yl)methyl]piperazin-1-yl]acetamide
CID 135882940

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).