N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide

C25H30N6O — CID 70997500

About N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide

N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide (PubChem CID 70997500) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
• PubChem CID: 70997500
• Molecular Formula: C25H30N6O
• Molecular Weight: 430.56 g/mol
• Exact Mass: 430.25
• IUPAC Name: N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
• SMILES: CN(C)c1nc(NC2CCC(NC(=O)C3Cc4ccccc4N3)CC2)nc2ccccc12
• InChI: InChI=1S/C25H30N6O/c1-31(2)23-19-8-4-6-10-21(19)29-25(30-23)27-18-13-11-17(12-14-18)26-24(32)22-15-16-7-3-5-9-20(16)28-22/h3-10,17-18,22,28H,11-15H2,1-2H3,(H,26,32)(H,27,29,30)
• InChIKey: RMRSVDFNAQUNOF-UHFFFAOYSA-N
• XLogP: 3.57
• TPSA: 82.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.56
LogP ≤ 5	3.57
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?

The IUPAC name of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide (CID 70997500) is N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide.

What is the SMILES notation for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?

The canonical SMILES for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide is CN(C)c1nc(NC2CCC(NC(=O)C3Cc4ccccc4N3)CC2)nc2ccccc12.

What is the InChIKey of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?

The InChIKey is RMRSVDFNAQUNOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-31(2)23-19-8-4-6-10-21(19)29-25(30-23)27-18-13-11-17(12-14-18)26-24(32)22-15-16-7-3-5-9-20(16)28-22/h3-10,17-18,22,28H,11-15H2,1-2H3,(H,26,32)(H,27,29,30).

What are the key properties of N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide?

N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide has a molecular weight of 430.56 g/mol, XLogP of 3.57, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide is sourced from PubChem (CID 70997500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).