1-(3-hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione

C11H16N2O3 — CID 12514470

IUPAC1-(3-hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCO)c2c1CCCC2
InChIInChI=1S/C11H16N2O3/c14-7-3-6-13-9-5-2-1-4-8(9)10(15)12-11(13)16/h14H,1-7H2,(H,12,15,16)
InChIKeyYCWMSQOPMOHHCM-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.20
Rot. Bonds3

About 1-(3-hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione

1-(3-hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione (PubChem CID 12514470) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 1-(3-hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione.

Molecular Properties

Compound Name1-(3-hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
PubChem CID12514470
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name1-(3-hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
SMILESO=c1[nH]c(=O)n(CCCO)c2c1CCCC2
InChIInChI=1S/C11H16N2O3/c14-7-3-6-13-9-5-2-1-4-8(9)10(15)12-11(13)16/h14H,1-7H2,(H,12,15,16)
InChIKeyYCWMSQOPMOHHCM-UHFFFAOYSA-N
XLogP-0.20
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(3-hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione with MolForge

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Related Compounds

1-(2-Hydroxyethoxymethyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 455487
1-(3,3,3-Trifluoropropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 101347112
3-(2,3-dihydroxypropyl)-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
CID 341217
3-(2,4-Dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanoic acid
CID 11368400
3-Methyl-5,6,7,8-tetrahydro-1h-quinazoline-2,4-dione
CID 13357775
1-[3-(2-Oxopyrrolidin-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 15908469
1-[3-(methylamino)propyl]-5,6,7,8-tetrahydro-2,4(1H,3H)-quinazolinedione
CID 18768328
1-[3-(2-Oxoazepan-1-yl)propyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 20600956
3-propan-2-yl-5,6,7,8-tetrahydro-1H-quinazoline-2,4-dione
CID 21531042
1-Methyl-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 21822458
3-(2,4-dioxo-3,4,5,6,7,8-hexahydro-1(2H)-quinazolinyl)-propanecarboxylic acid
CID 21916435
3-(3-Methyl-2,4-dioxo-5,6,7,8-tetrahydroquinazolin-1-yl)propanal
CID 57927612

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The IUPAC name of 1-(3-hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione (CID 12514470) is 1-(3-hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione.
What is the SMILES notation for 1-(3-hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The canonical SMILES for 1-(3-hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione is O=c1[nH]c(=O)n(CCCO)c2c1CCCC2.
What is the InChIKey of 1-(3-hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione?
The InChIKey is YCWMSQOPMOHHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c14-7-3-6-13-9-5-2-1-4-8(9)10(15)12-11(13)16/h14H,1-7H2,(H,12,15,16).
What are the key properties of 1-(3-hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione?
1-(3-hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione has a molecular weight of 224.26 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxypropyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione is sourced from PubChem (CID 12514470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).