4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid

C20H26N4O3 — CID 69261813

IUPAC4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid
SMILESCN1CCCC1COc1ccc2c(C3CCN(C(=O)O)CC3)ncnc2c1
InChIInChI=1S/C20H26N4O3/c1-23-8-2-3-15(23)12-27-16-4-5-17-18(11-16)21-13-22-19(17)14-6-9-24(10-7-14)20(25)26/h4-5,11,13-15H,2-3,6-10,12H2,1H3,(H,25,26)
InChIKeyUKNNVCLGTFEVJB-UHFFFAOYSA-N
MW370.45 g/mol
LogP2.96
Rot. Bonds4

About 4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid

4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid (PubChem CID 69261813) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is 4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid
PubChem CID69261813
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid
SMILESCN1CCCC1COc1ccc2c(C3CCN(C(=O)O)CC3)ncnc2c1
InChIInChI=1S/C20H26N4O3/c1-23-8-2-3-15(23)12-27-16-4-5-17-18(11-16)21-13-22-19(17)14-6-9-24(10-7-14)20(25)26/h4-5,11,13-15H,2-3,6-10,12H2,1H3,(H,25,26)
InChIKeyUKNNVCLGTFEVJB-UHFFFAOYSA-N
XLogP2.96
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-[(1-methylpyrrolidin-2-yl)methoxy]-4-piperidin-4-ylquinazoline
CID 68695903
4-[7-(1-methylpiperidin-4-yl)oxyquinazolin-4-yl]piperidine-1-carboxylic acid
CID 69260348
4-[7-[3-(methanesulfonamido)propoxy]quinazolin-4-yl]piperidine-1-carboxylic acid
CID 69260341
4-[7-(2-piperidin-2-ylethoxy)quinazolin-4-yl]piperidine-1-carboxylic acid
CID 69259081
4-[7-[4-(2-methoxyethyl)piperazin-1-yl]quinazolin-4-yl]piperidine-1-carboxylic acid
CID 69260554
methanol;4-[7-(2-pyrrolidin-1-ylethoxy)quinazolin-4-yl]-N-(4-pyrrolidin-1-ylphenyl)piperidine-1-carboxamide
CID 143371093
4-[7-(4-pyrimidin-2-ylpiperazin-1-yl)quinazolin-4-yl]piperidine-1-carboxylic acid
CID 69263218
(3-amino-1H-1,2,4-triazol-5-yl)-[4-(7-ethoxyquinazolin-4-yl)piperidin-1-yl]methanone
CID 162748737
4-[7-[2-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]ethoxy]quinazolin-4-yl]-N-(4-morpholin-4-ylphenyl)piperidine-1-carboxamide
CID 58770712
(4-propan-2-ylphenyl) 4-(7-methoxyquinazolin-4-yl)piperidine-1-carboxylate
CID 90731692
acetic acid;2-[(4-ethylphenoxy)methyl]-1-methylpyrrolidine
CID 91515724
N-[3-[4-(1-formylpiperidin-4-yl)quinazolin-7-yl]oxypropyl]-N-methylbutanamide
CID 143371248

Frequently Asked Questions

What is the IUPAC name of 4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid (CID 69261813) is 4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid is CN1CCCC1COc1ccc2c(C3CCN(C(=O)O)CC3)ncnc2c1.
What is the InChIKey of 4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid?
The InChIKey is UKNNVCLGTFEVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O3/c1-23-8-2-3-15(23)12-27-16-4-5-17-18(11-16)21-13-22-19(17)14-6-9-24(10-7-14)20(25)26/h4-5,11,13-15H,2-3,6-10,12H2,1H3,(H,25,26).
What are the key properties of 4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid?
4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid has a molecular weight of 370.45 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-[(1-methylpyrrolidin-2-yl)methoxy]quinazolin-4-yl]piperidine-1-carboxylic acid is sourced from PubChem (CID 69261813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).