tert-butyl N-[2-[4-(4-chloro-7,7-dimethyl-5-oxoindolo[1,2-a]quinazolin-10-yl)piperidin-1-yl]ethyl]carbamate

C29H35ClN4O3 — CID 171104713

IUPACtert-butyl N-[2-[4-(4-chloro-7,7-dimethyl-5-oxoindolo[1,2-a]quinazolin-10-yl)piperidin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCC(c2ccc3c(c2)-n2c(nc(=O)c4c(Cl)cccc42)C3(C)C)CC1
InChIInChI=1S/C29H35ClN4O3/c1-28(2,3)37-27(36)31-13-16-33-14-11-18(12-15-33)19-9-10-20-23(17-19)34-22-8-6-7-21(30)24(22)25(35)32-26(34)29(20,4)5/h6-10,17-18H,11-16H2,1-5H3,(H,31,36)
InChIKeyXPEDPYHRGNNRGE-UHFFFAOYSA-N
MW523.08 g/mol
LogP5.38
Rot. Bonds4

About tert-butyl N-[2-[4-(4-chloro-7,7-dimethyl-5-oxoindolo[1,2-a]quinazolin-10-yl)piperidin-1-yl]ethyl]carbamate

tert-butyl N-[2-[4-(4-chloro-7,7-dimethyl-5-oxoindolo[1,2-a]quinazolin-10-yl)piperidin-1-yl]ethyl]carbamate (PubChem CID 171104713) has the molecular formula C29H35ClN4O3 and a molecular weight of 523.08 g/mol. Its IUPAC name is tert-butyl N-[2-[4-(4-chloro-7,7-dimethyl-5-oxoindolo[1,2-a]quinazolin-10-yl)piperidin-1-yl]ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-[4-(4-chloro-7,7-dimethyl-5-oxoindolo[1,2-a]quinazolin-10-yl)piperidin-1-yl]ethyl]carbamate
PubChem CID171104713
Molecular FormulaC29H35ClN4O3
Molecular Weight523.08 g/mol
Exact Mass522.24
IUPAC Nametert-butyl N-[2-[4-(4-chloro-7,7-dimethyl-5-oxoindolo[1,2-a]quinazolin-10-yl)piperidin-1-yl]ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCN1CCC(c2ccc3c(c2)-n2c(nc(=O)c4c(Cl)cccc42)C3(C)C)CC1
InChIInChI=1S/C29H35ClN4O3/c1-28(2,3)37-27(36)31-13-16-33-14-11-18(12-15-33)19-9-10-20-23(17-19)34-22-8-6-7-21(30)24(22)25(35)32-26(34)29(20,4)5/h6-10,17-18H,11-16H2,1-5H3,(H,31,36)
InChIKeyXPEDPYHRGNNRGE-UHFFFAOYSA-N
XLogP5.38
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.08
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze tert-butyl N-[2-[4-(4-chloro-7,7-dimethyl-5-oxoindolo[1,2-a]quinazolin-10-yl)piperidin-1-yl]ethyl]carbamate 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 tert-butyl N-[2-[4-(4-chloro-7,7-dimethyl-5-oxoindolo[1,2-a]quinazolin-10-yl)piperidin-1-yl]ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-[4-(4-chloro-7,7-dimethyl-5-oxoindolo[1,2-a]quinazolin-10-yl)piperidin-1-yl]ethyl]carbamate (CID 171104713) is tert-butyl N-[2-[4-(4-chloro-7,7-dimethyl-5-oxoindolo[1,2-a]quinazolin-10-yl)piperidin-1-yl]ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-[4-(4-chloro-7,7-dimethyl-5-oxoindolo[1,2-a]quinazolin-10-yl)piperidin-1-yl]ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-[4-(4-chloro-7,7-dimethyl-5-oxoindolo[1,2-a]quinazolin-10-yl)piperidin-1-yl]ethyl]carbamate is CC(C)(C)OC(=O)NCCN1CCC(c2ccc3c(c2)-n2c(nc(=O)c4c(Cl)cccc42)C3(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-[4-(4-chloro-7,7-dimethyl-5-oxoindolo[1,2-a]quinazolin-10-yl)piperidin-1-yl]ethyl]carbamate?
The InChIKey is XPEDPYHRGNNRGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H35ClN4O3/c1-28(2,3)37-27(36)31-13-16-33-14-11-18(12-15-33)19-9-10-20-23(17-19)34-22-8-6-7-21(30)24(22)25(35)32-26(34)29(20,4)5/h6-10,17-18H,11-16H2,1-5H3,(H,31,36).
What are the key properties of tert-butyl N-[2-[4-(4-chloro-7,7-dimethyl-5-oxoindolo[1,2-a]quinazolin-10-yl)piperidin-1-yl]ethyl]carbamate?
tert-butyl N-[2-[4-(4-chloro-7,7-dimethyl-5-oxoindolo[1,2-a]quinazolin-10-yl)piperidin-1-yl]ethyl]carbamate has a molecular weight of 523.08 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-[4-(4-chloro-7,7-dimethyl-5-oxoindolo[1,2-a]quinazolin-10-yl)piperidin-1-yl]ethyl]carbamate is sourced from PubChem (CID 171104713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).