4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid

C15H17N3O2 — CID 1414117

IUPAC4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid
SMILESC[C@@H]1CCCN(c2ncnc3cc(C(=O)O)ccc23)C1
InChIInChI=1S/C15H17N3O2/c1-10-3-2-6-18(8-10)14-12-5-4-11(15(19)20)7-13(12)16-9-17-14/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,19,20)/t10-/m1/s1
InChIKeyFRCHCRLJTWUFCL-SNVBAGLBSA-N
MW271.32 g/mol
LogP2.56
Rot. Bonds2

About 4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid

4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid (PubChem CID 1414117) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid.

Molecular Properties

Compound Name4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid
PubChem CID1414117
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid
SMILESC[C@@H]1CCCN(c2ncnc3cc(C(=O)O)ccc23)C1
InChIInChI=1S/C15H17N3O2/c1-10-3-2-6-18(8-10)14-12-5-4-11(15(19)20)7-13(12)16-9-17-14/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,19,20)/t10-/m1/s1
InChIKeyFRCHCRLJTWUFCL-SNVBAGLBSA-N
XLogP2.56
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-hydroxy-3-methylpiperidin-1-yl)quinazoline-7-carboxylic acid
CID 114678889
7-methoxy-4-(3-methylpiperidin-1-yl)quinazoline
CID 110433305
4-(3,4-dihydroxypyrrolidin-1-yl)quinazoline-7-carboxylic acid
CID 106669846
4-(2-methylmorpholin-4-yl)quinazoline-7-carboxylic acid
CID 63263123
4-[3-(2-hydroxyethyl)pyrrolidin-1-yl]quinazoline-7-carboxylic acid
CID 114797984
4-(2-carboxypyrrolidin-1-yl)quinazoline-7-carboxylic acid;hydrochloride
CID 20982587
2-methyl-4-[(3S)-3-methylpiperidin-1-yl]quinoline-7-carboxylic acid
CID 7138041
4-morpholin-4-ylquinazoline-7-carboxylic acid
CID 1414121
1-(7-aminoquinazolin-4-yl)-N-methylpiperidine-3-carboxamide
CID 103194356
1-(3-methylpiperidin-1-yl)isoquinoline-4-carboxylic acid
CID 106766485
1-(6-methoxyquinazolin-4-yl)piperidine-3-carboxylic acid
CID 21002829
1-(7-chloroquinazolin-4-yl)-N,N-dimethylpiperidin-3-amine
CID 86885508

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid?
The IUPAC name of 4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid (CID 1414117) is 4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid.
What is the SMILES notation for 4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid?
The canonical SMILES for 4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid is C[C@@H]1CCCN(c2ncnc3cc(C(=O)O)ccc23)C1.
What is the InChIKey of 4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid?
The InChIKey is FRCHCRLJTWUFCL-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-10-3-2-6-18(8-10)14-12-5-4-11(15(19)20)7-13(12)16-9-17-14/h4-5,7,9-10H,2-3,6,8H2,1H3,(H,19,20)/t10-/m1/s1.
What are the key properties of 4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid?
4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid has a molecular weight of 271.32 g/mol, XLogP of 2.56, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-methylpiperidin-1-yl]quinazoline-7-carboxylic acid is sourced from PubChem (CID 1414117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).