1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid

C16H19N3O3 — CID 118759012

IUPAC1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
SMILESCOc1ccc2c(C)nc(N3CCC(C(=O)O)CC3)nc2c1
InChIInChI=1S/C16H19N3O3/c1-10-13-4-3-12(22-2)9-14(13)18-16(17-10)19-7-5-11(6-8-19)15(20)21/h3-4,9,11H,5-8H2,1-2H3,(H,20,21)
InChIKeyOAHUHZDXRNBRGB-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.25
Rot. Bonds3

About 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid

1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid (PubChem CID 118759012) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
PubChem CID118759012
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid
SMILESCOc1ccc2c(C)nc(N3CCC(C(=O)O)CC3)nc2c1
InChIInChI=1S/C16H19N3O3/c1-10-13-4-3-12(22-2)9-14(13)18-16(17-10)19-7-5-11(6-8-19)15(20)21/h3-4,9,11H,5-8H2,1-2H3,(H,20,21)
InChIKeyOAHUHZDXRNBRGB-UHFFFAOYSA-N
XLogP2.25
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-3-yl]methanone
CID 45185896
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxamide
CID 28955325
1-(6-methoxy-3-methylquinoxalin-2-yl)pyrrolidine-3-carboxylic acid
CID 122048390
N-[(2,4-dimethoxyphenyl)methyl]-1-(4,6,7-trimethylquinazolin-2-yl)piperidine-4-carboxamide
CID 118754590
1-[(3S)-1-[(3S)-1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-3-carbonyl]piperidin-3-yl]propan-1-one
CID 42164315
7-methoxy-1,10-diazatetracyclo[10.2.2.02,11.04,9]hexadeca-2,4(9),5,7,10-pentaene-3-carboxylic acid
CID 61355409
1-(7-methoxy-4-methylquinazolin-2-yl)-N-(2-phenylpropyl)piperidin-4-amine
CID 45192252
(3R)-N-(2-methoxyethyl)-1-(7-methoxy-4-methylquinazolin-2-yl)-N-propan-2-ylpiperidine-3-carboxamide
CID 26278572
1-(7-methoxy-4-methylquinolin-2-yl)-N,N-dimethylpiperidine-4-carboxamide
CID 171691583
2-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-7-methoxy-4-methylquinazoline
CID 95202338
(9aR)-2-(7-methoxy-4-methylquinazolin-2-yl)-8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazine
CID 95200575
N-[2-(2,4-dimethoxyphenyl)ethyl]-1-(7-methoxy-4-methylquinazolin-2-yl)piperidin-4-amine
CID 118755161

Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid (CID 118759012) is 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid is COc1ccc2c(C)nc(N3CCC(C(=O)O)CC3)nc2c1.
What is the InChIKey of 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid?
The InChIKey is OAHUHZDXRNBRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-10-13-4-3-12(22-2)9-14(13)18-16(17-10)19-7-5-11(6-8-19)15(20)21/h3-4,9,11H,5-8H2,1-2H3,(H,20,21).
What are the key properties of 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid?
1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-4-methylquinazolin-2-yl)piperidine-4-carboxylic acid is sourced from PubChem (CID 118759012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).