N,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide

C20H27N3O — CID 124863244

IUPACN,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)[C@@H]2CCCc3cccnc32)c(C)n1C(C)C
InChIInChI=1S/C20H27N3O/c1-13(2)23-14(3)12-17(15(23)4)20(24)22(5)18-10-6-8-16-9-7-11-21-19(16)18/h7,9,11-13,18H,6,8,10H2,1-5H3/t18-/m1/s1
InChIKeyREHBBFGXNHEYHN-GOSISDBHSA-N
MW325.46 g/mol
LogP4.23
Rot. Bonds3

About N,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide

N,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide (PubChem CID 124863244) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is N,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide
PubChem CID124863244
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC NameN,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)[C@@H]2CCCc3cccnc32)c(C)n1C(C)C
InChIInChI=1S/C20H27N3O/c1-13(2)23-14(3)12-17(15(23)4)20(24)22(5)18-10-6-8-16-9-7-11-21-19(16)18/h7,9,11-13,18H,6,8,10H2,1-5H3/t18-/m1/s1
InChIKeyREHBBFGXNHEYHN-GOSISDBHSA-N
XLogP4.23
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-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 N,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide?
The IUPAC name of N,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide (CID 124863244) is N,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide is Cc1cc(C(=O)N(C)[C@@H]2CCCc3cccnc32)c(C)n1C(C)C.
What is the InChIKey of N,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide?
The InChIKey is REHBBFGXNHEYHN-GOSISDBHSA-N. The full InChI is InChI=1S/C20H27N3O/c1-13(2)23-14(3)12-17(15(23)4)20(24)22(5)18-10-6-8-16-9-7-11-21-19(16)18/h7,9,11-13,18H,6,8,10H2,1-5H3/t18-/m1/s1.
What are the key properties of N,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide?
N,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-1-propan-2-yl-N-[(8R)-5,6,7,8-tetrahydroquinolin-8-yl]pyrrole-3-carboxamide is sourced from PubChem (CID 124863244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).