4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid

C25H27N5O3 — CID 71268473

IUPAC4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NC3CCN(C(=O)O)CC3)ncc2c1
InChIInChI=1S/C25H27N5O3/c1-15-2-3-17(23(31)27-19-5-6-19)13-21(15)16-4-7-22-18(12-16)14-26-24(29-22)28-20-8-10-30(11-9-20)25(32)33/h2-4,7,12-14,19-20H,5-6,8-11H2,1H3,(H,27,31)(H,32,33)(H,26,28,29)
InChIKeyVSERSRUGZBUZJI-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.05
Rot. Bonds5

About 4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid

4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid (PubChem CID 71268473) has the molecular formula C25H27N5O3 and a molecular weight of 445.52 g/mol. Its IUPAC name is 4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid
PubChem CID71268473
Molecular FormulaC25H27N5O3
Molecular Weight445.52 g/mol
Exact Mass445.21
IUPAC Name4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid
SMILESCc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NC3CCN(C(=O)O)CC3)ncc2c1
InChIInChI=1S/C25H27N5O3/c1-15-2-3-17(23(31)27-19-5-6-19)13-21(15)16-4-7-22-18(12-16)14-26-24(29-22)28-20-8-10-30(11-9-20)25(32)33/h2-4,7,12-14,19-20H,5-6,8-11H2,1H3,(H,27,31)(H,32,33)(H,26,28,29)
InChIKeyVSERSRUGZBUZJI-UHFFFAOYSA-N
XLogP4.05
TPSA107.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid with MolForge

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Related Compounds

[1-[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]pyrrolidin-3-yl]carbamic acid
CID 69464228
N-cyclopropyl-3-[2-[(dimethylamino)methyl]quinazolin-6-yl]-4-methylbenzamide
CID 71211058
N-cyclopropyl-4-methyl-3-[2-[(1-methylpyrrolidin-2-yl)methylamino]quinazolin-6-yl]benzamide
CID 69461402
N-cyclopropyl-4-methyl-3-[2-[2-(propan-2-ylamino)ethylamino]quinazolin-6-yl]benzamide
CID 58829322
N-cyclopropyl-3-[2-[2-(ethylamino)ethylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273125
N-cyclopropyl-3-[2-[3-(dimethylamino)propyl]quinazolin-6-yl]-4-methylbenzamide
CID 58829067
N-cyclopropyl-4-methyl-3-[2-[[(2R)-1-propan-2-ylpyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
CID 58829618
N-cyclopropyl-4-methyl-3-[2-[[(2R)-pyrrolidin-2-yl]methylamino]quinazolin-6-yl]benzamide
CID 58829680
N-cyclopentyl-4-methyl-3-[2-(2-morpholin-4-ylethylamino)quinazolin-6-yl]benzamide
CID 58829888
N-cyclopropyl-3-[2-[5-(ethylamino)pentan-2-ylamino]quinazolin-6-yl]-4-methylbenzamide
CID 71273123
tert-butyl 2-[[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]methyl]piperidine-1-carboxylate
CID 58829804
4-[[6-(2-methylphenyl)quinazolin-2-yl]amino]cyclohexan-1-ol
CID 58829507

Frequently Asked Questions

What is the IUPAC name of 4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid (CID 71268473) is 4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid is Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NC3CCN(C(=O)O)CC3)ncc2c1.
What is the InChIKey of 4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid?
The InChIKey is VSERSRUGZBUZJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O3/c1-15-2-3-17(23(31)27-19-5-6-19)13-21(15)16-4-7-22-18(12-16)14-26-24(29-22)28-20-8-10-30(11-9-20)25(32)33/h2-4,7,12-14,19-20H,5-6,8-11H2,1H3,(H,27,31)(H,32,33)(H,26,28,29).
What are the key properties of 4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid?
4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid has a molecular weight of 445.52 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[6-[5-(cyclopropylcarbamoyl)-2-methylphenyl]quinazolin-2-yl]amino]piperidine-1-carboxylic acid is sourced from PubChem (CID 71268473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).