7-(1H-cyclopropa[a]naphthalen-7-yl)-6-cyclopropyl-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-N,N-dimethylquinazolin-4-amine

C33H35FN4 — CID 170090905

IUPAC7-(1H-cyclopropa[a]naphthalen-7-yl)-6-cyclopropyl-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1nc(CCC23CCCN2CCC3)nc2c(F)c(-c3cccc4ccc5c(c34)C5)c(C3CC3)cc12
InChIInChI=1S/C33H35FN4/c1-37(2)32-26-19-25(20-8-9-20)29(23-7-3-6-21-10-11-22-18-24(22)28(21)23)30(34)31(26)35-27(36-32)12-15-33-13-4-16-38(33)17-5-14-33/h3,6-7,10-11,19-20H,4-5,8-9,12-18H2,1-2H3
InChIKeyDRVHWOXZAFPINT-UHFFFAOYSA-N
MW506.67 g/mol
LogP7.00
Rot. Bonds6

About 7-(1H-cyclopropa[a]naphthalen-7-yl)-6-cyclopropyl-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-N,N-dimethylquinazolin-4-amine

7-(1H-cyclopropa[a]naphthalen-7-yl)-6-cyclopropyl-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-N,N-dimethylquinazolin-4-amine (PubChem CID 170090905) has the molecular formula C33H35FN4 and a molecular weight of 506.67 g/mol. Its IUPAC name is 7-(1H-cyclopropa[a]naphthalen-7-yl)-6-cyclopropyl-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-N,N-dimethylquinazolin-4-amine.

Molecular Properties

Compound Name7-(1H-cyclopropa[a]naphthalen-7-yl)-6-cyclopropyl-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-N,N-dimethylquinazolin-4-amine
PubChem CID170090905
Molecular FormulaC33H35FN4
Molecular Weight506.67 g/mol
Exact Mass506.28
IUPAC Name7-(1H-cyclopropa[a]naphthalen-7-yl)-6-cyclopropyl-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-N,N-dimethylquinazolin-4-amine
SMILESCN(C)c1nc(CCC23CCCN2CCC3)nc2c(F)c(-c3cccc4ccc5c(c34)C5)c(C3CC3)cc12
InChIInChI=1S/C33H35FN4/c1-37(2)32-26-19-25(20-8-9-20)29(23-7-3-6-21-10-11-22-18-24(22)28(21)23)30(34)31(26)35-27(36-32)12-15-33-13-4-16-38(33)17-5-14-33/h3,6-7,10-11,19-20H,4-5,8-9,12-18H2,1-2H3
InChIKeyDRVHWOXZAFPINT-UHFFFAOYSA-N
XLogP7.00
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.67
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 7-(1H-cyclopropa[a]naphthalen-7-yl)-6-cyclopropyl-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-N,N-dimethylquinazolin-4-amine 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 7-(1H-cyclopropa[a]naphthalen-7-yl)-6-cyclopropyl-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-N,N-dimethylquinazolin-4-amine?
The IUPAC name of 7-(1H-cyclopropa[a]naphthalen-7-yl)-6-cyclopropyl-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-N,N-dimethylquinazolin-4-amine (CID 170090905) is 7-(1H-cyclopropa[a]naphthalen-7-yl)-6-cyclopropyl-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-N,N-dimethylquinazolin-4-amine.
What is the SMILES notation for 7-(1H-cyclopropa[a]naphthalen-7-yl)-6-cyclopropyl-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-N,N-dimethylquinazolin-4-amine?
The canonical SMILES for 7-(1H-cyclopropa[a]naphthalen-7-yl)-6-cyclopropyl-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-N,N-dimethylquinazolin-4-amine is CN(C)c1nc(CCC23CCCN2CCC3)nc2c(F)c(-c3cccc4ccc5c(c34)C5)c(C3CC3)cc12.
What is the InChIKey of 7-(1H-cyclopropa[a]naphthalen-7-yl)-6-cyclopropyl-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-N,N-dimethylquinazolin-4-amine?
The InChIKey is DRVHWOXZAFPINT-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35FN4/c1-37(2)32-26-19-25(20-8-9-20)29(23-7-3-6-21-10-11-22-18-24(22)28(21)23)30(34)31(26)35-27(36-32)12-15-33-13-4-16-38(33)17-5-14-33/h3,6-7,10-11,19-20H,4-5,8-9,12-18H2,1-2H3.
What are the key properties of 7-(1H-cyclopropa[a]naphthalen-7-yl)-6-cyclopropyl-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-N,N-dimethylquinazolin-4-amine?
7-(1H-cyclopropa[a]naphthalen-7-yl)-6-cyclopropyl-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-N,N-dimethylquinazolin-4-amine has a molecular weight of 506.67 g/mol, XLogP of 7.00, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1H-cyclopropa[a]naphthalen-7-yl)-6-cyclopropyl-8-fluoro-2-[2-(1,2,3,5,6,7-hexahydropyrrolizin-8-yl)ethyl]-N,N-dimethylquinazolin-4-amine is sourced from PubChem (CID 170090905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).