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

C25H30N6O — CID 70997500

IUPACN-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(C)c1nc(NC2CCC(NC(=O)C3Cc4ccccc4N3)CC2)nc2ccccc12
InChIInChI=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)
InChIKeyRMRSVDFNAQUNOF-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.57
Rot. Bonds5

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 NameN-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
PubChem CID70997500
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC NameN-[4-[[4-(dimethylamino)quinazolin-2-yl]amino]cyclohexyl]-2,3-dihydro-1H-indole-2-carboxamide
SMILESCN(C)c1nc(NC2CCC(NC(=O)C3Cc4ccccc4N3)CC2)nc2ccccc12
InChIInChI=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)
InChIKeyRMRSVDFNAQUNOF-UHFFFAOYSA-N
XLogP3.57
TPSA82.18 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

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

Launch Full Analysis

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).