4-[[3-(1H-indole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide

C25H20N6O2 — CID 66763730

IUPAC4-[[3-(1H-indole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5[nH]ccc5c4)c3)ncnc12
InChIInChI=1S/C25H20N6O2/c26-23(32)19-5-2-6-20-22(19)29-14-30-24(20)28-13-15-3-1-4-18(11-15)31-25(33)17-7-8-21-16(12-17)9-10-27-21/h1-12,14,27H,13H2,(H2,26,32)(H,31,33)(H,28,29,30)
InChIKeyDUVRZKNJHQRURL-UHFFFAOYSA-N
MW436.48 g/mol
LogP4.07
Rot. Bonds6

About 4-[[3-(1H-indole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide

4-[[3-(1H-indole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide (PubChem CID 66763730) has the molecular formula C25H20N6O2 and a molecular weight of 436.48 g/mol. Its IUPAC name is 4-[[3-(1H-indole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide.

Molecular Properties

Compound Name4-[[3-(1H-indole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide
PubChem CID66763730
Molecular FormulaC25H20N6O2
Molecular Weight436.48 g/mol
Exact Mass436.16
IUPAC Name4-[[3-(1H-indole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide
SMILESNC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5[nH]ccc5c4)c3)ncnc12
InChIInChI=1S/C25H20N6O2/c26-23(32)19-5-2-6-20-22(19)29-14-30-24(20)28-13-15-3-1-4-18(11-15)31-25(33)17-7-8-21-16(12-17)9-10-27-21/h1-12,14,27H,13H2,(H2,26,32)(H,31,33)(H,28,29,30)
InChIKeyDUVRZKNJHQRURL-UHFFFAOYSA-N
XLogP4.07
TPSA125.79 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.48
LogP ≤ 54.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 4-[[3-(1H-indole-5-carbonylamino)phenyl]methylamino]quinazoline-8-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 4-[[3-(1H-indole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide?
The IUPAC name of 4-[[3-(1H-indole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide (CID 66763730) is 4-[[3-(1H-indole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide.
What is the SMILES notation for 4-[[3-(1H-indole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide?
The canonical SMILES for 4-[[3-(1H-indole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide is NC(=O)c1cccc2c(NCc3cccc(NC(=O)c4ccc5[nH]ccc5c4)c3)ncnc12.
What is the InChIKey of 4-[[3-(1H-indole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide?
The InChIKey is DUVRZKNJHQRURL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6O2/c26-23(32)19-5-2-6-20-22(19)29-14-30-24(20)28-13-15-3-1-4-18(11-15)31-25(33)17-7-8-21-16(12-17)9-10-27-21/h1-12,14,27H,13H2,(H2,26,32)(H,31,33)(H,28,29,30).
What are the key properties of 4-[[3-(1H-indole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide?
4-[[3-(1H-indole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide has a molecular weight of 436.48 g/mol, XLogP of 4.07, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[3-(1H-indole-5-carbonylamino)phenyl]methylamino]quinazoline-8-carboxamide is sourced from PubChem (CID 66763730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).