1-(4-methylquinazolin-2-yl)-N-[[(1R,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]piperidine-4-carboxamide

C25H30N4O — CID 98586407

About 1-(4-methylquinazolin-2-yl)-N-[[(1R,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]piperidine-4-carboxamide

1-(4-methylquinazolin-2-yl)-N-[[(1R,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]piperidine-4-carboxamide (PubChem CID 98586407) has the molecular formula C25H30N4O and a molecular weight of 402.54 g/mol. Its IUPAC name is 1-(4-methylquinazolin-2-yl)-N-[[(1R,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]piperidine-4-carboxamide.

Molecular Properties

• Compound Name: 1-(4-methylquinazolin-2-yl)-N-[[(1R,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]piperidine-4-carboxamide
• PubChem CID: 98586407
• Molecular Formula: C25H30N4O
• Molecular Weight: 402.54 g/mol
• Exact Mass: 402.24
• IUPAC Name: 1-(4-methylquinazolin-2-yl)-N-[[(1R,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]piperidine-4-carboxamide
• SMILES: Cc1nc(N2CCC(C(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C43CC3)CC2)nc2ccccc12
• InChI: InChI=1S/C25H30N4O/c1-16-20-4-2-3-5-22(20)28-24(27-16)29-12-8-17(9-13-29)23(30)26-15-18-14-19-6-7-21(18)25(19)10-11-25/h2-7,17-19,21H,8-15H2,1H3,(H,26,30)/t18-,19+,21+/m0/s1
• InChIKey: MFEISVZVLZXBLP-QKNQBKEWSA-N
• XLogP: 3.87
• TPSA: 58.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.54
LogP ≤ 5	3.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylquinazolin-2-yl)-N-[[(1R,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]piperidine-4-carboxamide?

The IUPAC name of 1-(4-methylquinazolin-2-yl)-N-[[(1R,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]piperidine-4-carboxamide (CID 98586407) is 1-(4-methylquinazolin-2-yl)-N-[[(1R,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]piperidine-4-carboxamide.

What is the SMILES notation for 1-(4-methylquinazolin-2-yl)-N-[[(1R,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]piperidine-4-carboxamide?

The canonical SMILES for 1-(4-methylquinazolin-2-yl)-N-[[(1R,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]piperidine-4-carboxamide is Cc1nc(N2CCC(C(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C43CC3)CC2)nc2ccccc12.

What is the InChIKey of 1-(4-methylquinazolin-2-yl)-N-[[(1R,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]piperidine-4-carboxamide?

The InChIKey is MFEISVZVLZXBLP-QKNQBKEWSA-N. The full InChI is InChI=1S/C25H30N4O/c1-16-20-4-2-3-5-22(20)28-24(27-16)29-12-8-17(9-13-29)23(30)26-15-18-14-19-6-7-21(18)25(19)10-11-25/h2-7,17-19,21H,8-15H2,1H3,(H,26,30)/t18-,19+,21+/m0/s1.

What are the key properties of 1-(4-methylquinazolin-2-yl)-N-[[(1R,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]piperidine-4-carboxamide?

1-(4-methylquinazolin-2-yl)-N-[[(1R,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]piperidine-4-carboxamide has a molecular weight of 402.54 g/mol, XLogP of 3.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylquinazolin-2-yl)-N-[[(1R,2R,4S)-spiro[bicyclo[2.2.1]hept-5-ene-7,1'-cyclopropane]-2-yl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 98586407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).