2-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline

C25H30N4 — CID 28809890

IUPAC2-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline
SMILESCc1cc2nc(N3CCCN(C4Cc5ccccc5C4)CC3)nc(C)c2cc1C
InChIInChI=1S/C25H30N4/c1-17-13-23-19(3)26-25(27-24(23)14-18(17)2)29-10-6-9-28(11-12-29)22-15-20-7-4-5-8-21(20)16-22/h4-5,7-8,13-14,22H,6,9-12,15-16H2,1-3H3
InChIKeyDIBFCXJSEDBUMT-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.23
Rot. Bonds2

About 2-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline

2-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline (PubChem CID 28809890) has the molecular formula C25H30N4 and a molecular weight of 386.54 g/mol. Its IUPAC name is 2-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline.

Molecular Properties

Compound Name2-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline
PubChem CID28809890
Molecular FormulaC25H30N4
Molecular Weight386.54 g/mol
Exact Mass386.25
IUPAC Name2-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline
SMILESCc1cc2nc(N3CCCN(C4Cc5ccccc5C4)CC3)nc(C)c2cc1C
InChIInChI=1S/C25H30N4/c1-17-13-23-19(3)26-25(27-24(23)14-18(17)2)29-10-6-9-28(11-12-29)22-15-20-7-4-5-8-21(20)16-22/h4-5,7-8,13-14,22H,6,9-12,15-16H2,1-3H3
InChIKeyDIBFCXJSEDBUMT-UHFFFAOYSA-N
XLogP4.23
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline 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 2-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline?
The IUPAC name of 2-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline (CID 28809890) is 2-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline.
What is the SMILES notation for 2-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline?
The canonical SMILES for 2-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline is Cc1cc2nc(N3CCCN(C4Cc5ccccc5C4)CC3)nc(C)c2cc1C.
What is the InChIKey of 2-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline?
The InChIKey is DIBFCXJSEDBUMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4/c1-17-13-23-19(3)26-25(27-24(23)14-18(17)2)29-10-6-9-28(11-12-29)22-15-20-7-4-5-8-21(20)16-22/h4-5,7-8,13-14,22H,6,9-12,15-16H2,1-3H3.
What are the key properties of 2-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline?
2-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline has a molecular weight of 386.54 g/mol, XLogP of 4.23, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,3-dihydro-1H-inden-2-yl)-1,4-diazepan-1-yl]-4,6,7-trimethylquinazoline is sourced from PubChem (CID 28809890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).