4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid

C15H17N3O3 — CID 114678889

IUPAC4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid
SMILESCC1CN(c2ncnc3cc(C(=O)O)ccc23)CCC1O
InChIInChI=1S/C15H17N3O3/c1-9-7-18(5-4-13(9)19)14-11-3-2-10(15(20)21)6-12(11)16-8-17-14/h2-3,6,8-9,13,19H,4-5,7H2,1H3,(H,20,21)
InChIKeySDLYBJHKTSWAFJ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.54
Rot. Bonds2

About 4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid

4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid (PubChem CID 114678889) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid
PubChem CID114678889
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid
SMILESCC1CN(c2ncnc3cc(C(=O)O)ccc23)CCC1O
InChIInChI=1S/C15H17N3O3/c1-9-7-18(5-4-13(9)19)14-11-3-2-10(15(20)21)6-12(11)16-8-17-14/h2-3,6,8-9,13,19H,4-5,7H2,1H3,(H,20,21)
InChIKeySDLYBJHKTSWAFJ-UHFFFAOYSA-N
XLogP1.54
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3,4-dihydroxypyrrolidin-1-yl)quinazoline-7-carboxylic acid
CID 106669846
4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid
CID 1414117
4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid
CID 63263123
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid
CID 114797984
1-(6-aminoquinazolin-4-yl)-3-methylpiperidin-4-ol
CID 114677655
4-morpholin-4-ylquinazoline-7-carboxylic acid
CID 1414121
6-[(3R,4R)-4-hydroxy-3-methylpiperidin-1-yl]pyridine-3-carboxylic acid
CID 129445649
4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride
CID 20982587
1-(6-amino-5-methoxypyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114683932
2-(4-hydroxy-3-methylpiperidin-1-yl)pyridine-3-carboxylic acid
CID 114678869
4-(3,4,5-trimethylpyrazol-1-yl)quinazoline-7-carboxylic acid
CID 63263044
(3R,4S)-1-(6,7-dimethoxyquinazolin-4-yl)-3-phenylpiperidin-4-ol
CID 69368621

Frequently Asked Questions

What is the IUPAC name of 4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid?
The IUPAC name of 4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid (CID 114678889) is 4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid?
The canonical SMILES for 4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid is CC1CN(c2ncnc3cc(C(=O)O)ccc23)CCC1O.
What is the InChIKey of 4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid?
The InChIKey is SDLYBJHKTSWAFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-7-18(5-4-13(9)19)14-11-3-2-10(15(20)21)6-12(11)16-8-17-14/h2-3,6,8-9,13,19H,4-5,7H2,1H3,(H,20,21).
What are the key properties of 4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid?
4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid has a molecular weight of 287.32 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid is sourced from PubChem (CID 114678889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).