4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline

C18H16ClN3 — CID 18932855

IUPAC4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline
SMILESCc1cc2ncnc(N3CCc4ccc(Cl)cc43)c2cc1C
InChIInChI=1S/C18H16ClN3/c1-11-7-15-16(8-12(11)2)20-10-21-18(15)22-6-5-13-3-4-14(19)9-17(13)22/h3-4,7-10H,5-6H2,1-2H3
InChIKeyDLOGGEPZOLRYJP-UHFFFAOYSA-N
MW309.80 g/mol
LogP4.59
Rot. Bonds1

About 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline

4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline (PubChem CID 18932855) has the molecular formula C18H16ClN3 and a molecular weight of 309.80 g/mol. Its IUPAC name is 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline.

Molecular Properties

Compound Name4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline
PubChem CID18932855
Molecular FormulaC18H16ClN3
Molecular Weight309.80 g/mol
Exact Mass309.10
IUPAC Name4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline
SMILESCc1cc2ncnc(N3CCc4ccc(Cl)cc43)c2cc1C
InChIInChI=1S/C18H16ClN3/c1-11-7-15-16(8-12(11)2)20-10-21-18(15)22-6-5-13-3-4-14(19)9-17(13)22/h3-4,7-10H,5-6H2,1-2H3
InChIKeyDLOGGEPZOLRYJP-UHFFFAOYSA-N
XLogP4.59
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline 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-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline?
The IUPAC name of 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline (CID 18932855) is 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline.
What is the SMILES notation for 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline?
The canonical SMILES for 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline is Cc1cc2ncnc(N3CCc4ccc(Cl)cc43)c2cc1C.
What is the InChIKey of 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline?
The InChIKey is DLOGGEPZOLRYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3/c1-11-7-15-16(8-12(11)2)20-10-21-18(15)22-6-5-13-3-4-14(19)9-17(13)22/h3-4,7-10H,5-6H2,1-2H3.
What are the key properties of 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline?
4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline has a molecular weight of 309.80 g/mol, XLogP of 4.59, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-2,3-dihydroindol-1-yl)-6,7-dimethylquinazoline is sourced from PubChem (CID 18932855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).