3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-4-oxoquinazoline-6-carbonitrile

C17H18N4O3 — CID 14233671

IUPAC3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-4-oxoquinazoline-6-carbonitrile
SMILESN#Cc1ccc2ncn(CC(=O)CC3NCCCC3O)c(=O)c2c1
InChIInChI=1S/C17H18N4O3/c18-8-11-3-4-14-13(6-11)17(24)21(10-20-14)9-12(22)7-15-16(23)2-1-5-19-15/h3-4,6,10,15-16,19,23H,1-2,5,7,9H2
InChIKeyQKKLVDCABDPTCL-UHFFFAOYSA-N
MW326.36 g/mol
LogP0.34
Rot. Bonds4

About 3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-4-oxoquinazoline-6-carbonitrile

3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-4-oxoquinazoline-6-carbonitrile (PubChem CID 14233671) has the molecular formula C17H18N4O3 and a molecular weight of 326.36 g/mol. Its IUPAC name is 3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-4-oxoquinazoline-6-carbonitrile.

Molecular Properties

Compound Name3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-4-oxoquinazoline-6-carbonitrile
PubChem CID14233671
Molecular FormulaC17H18N4O3
Molecular Weight326.36 g/mol
Exact Mass326.14
IUPAC Name3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-4-oxoquinazoline-6-carbonitrile
SMILESN#Cc1ccc2ncn(CC(=O)CC3NCCCC3O)c(=O)c2c1
InChIInChI=1S/C17H18N4O3/c18-8-11-3-4-14-13(6-11)17(24)21(10-20-14)9-12(22)7-15-16(23)2-1-5-19-15/h3-4,6,10,15-16,19,23H,1-2,5,7,9H2
InChIKeyQKKLVDCABDPTCL-UHFFFAOYSA-N
XLogP0.34
TPSA108.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-[(2S,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
CID 11208839
3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-6-(trifluoromethyl)quinazolin-4-one;dihydrobromide
CID 67873969
3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-8-methyl-4-oxoquinazoline-6-carbonitrile;hydrochloride
CID 159592066
6,7-dibromo-3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]quinazolin-4-one
CID 160595097
7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
CID 169441110
7-bromo-6-chloro-3-[3-[(2R,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-bromo-6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;7-bromo-6-chloro-3-[3-[(2S,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
CID 159308608
7-bromo-6-chloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one;hydrochloride
CID 169441109
6-chloro-3-[3-[(2R,3S)-3-hydroxypiperidin-2-yl]-2-oxopropyl]-7-pyridin-4-ylquinazolin-4-one
CID 58482362
3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-7-iodo-6-methylsulfanylquinazolin-4-one;dihydrobromide
CID 19856595
3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-7-methoxy-6-methylsulfanylquinazolin-4-one;dihydrobromide
CID 19856590
6,7,8-trichloro-3-[3-[(2S,3R)-3-hydroxypiperidin-2-yl]-2-oxopropyl]quinazolin-4-one
CID 58482464
1-[(2R,3S)-3-hydroxypiperidin-2-yl]-3-imidazo[4,5-b]pyridin-3-ylpropan-2-one
CID 126716045

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-4-oxoquinazoline-6-carbonitrile?
The IUPAC name of 3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-4-oxoquinazoline-6-carbonitrile (CID 14233671) is 3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-4-oxoquinazoline-6-carbonitrile.
What is the SMILES notation for 3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-4-oxoquinazoline-6-carbonitrile?
The canonical SMILES for 3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-4-oxoquinazoline-6-carbonitrile is N#Cc1ccc2ncn(CC(=O)CC3NCCCC3O)c(=O)c2c1.
What is the InChIKey of 3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-4-oxoquinazoline-6-carbonitrile?
The InChIKey is QKKLVDCABDPTCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3/c18-8-11-3-4-14-13(6-11)17(24)21(10-20-14)9-12(22)7-15-16(23)2-1-5-19-15/h3-4,6,10,15-16,19,23H,1-2,5,7,9H2.
What are the key properties of 3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-4-oxoquinazoline-6-carbonitrile?
3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-4-oxoquinazoline-6-carbonitrile has a molecular weight of 326.36 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-hydroxypiperidin-2-yl)-2-oxopropyl]-4-oxoquinazoline-6-carbonitrile is sourced from PubChem (CID 14233671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).