(3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide

C24H25N5O2 — CID 100710098

IUPAC(3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCOc1cccc2[nH]cc(CCNC(=O)N3C[C@@H](n4cccn4)Cc4ccccc43)c12
InChIInChI=1S/C24H25N5O2/c1-31-22-9-4-7-20-23(22)18(15-26-20)10-12-25-24(30)28-16-19(29-13-5-11-27-29)14-17-6-2-3-8-21(17)28/h2-9,11,13,15,19,26H,10,12,14,16H2,1H3,(H,25,30)/t19-/m0/s1
InChIKeyAUDCPQOOZZQFMR-IBGZPJMESA-N
MW415.50 g/mol
LogP3.93
Rot. Bonds5

About (3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide

(3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 100710098) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is (3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID100710098
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name(3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCOc1cccc2[nH]cc(CCNC(=O)N3C[C@@H](n4cccn4)Cc4ccccc43)c12
InChIInChI=1S/C24H25N5O2/c1-31-22-9-4-7-20-23(22)18(15-26-20)10-12-25-24(30)28-16-19(29-13-5-11-27-29)14-17-6-2-3-8-21(17)28/h2-9,11,13,15,19,26H,10,12,14,16H2,1H3,(H,25,30)/t19-/m0/s1
InChIKeyAUDCPQOOZZQFMR-IBGZPJMESA-N
XLogP3.93
TPSA75.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-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 (3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of (3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide (CID 100710098) is (3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for (3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for (3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide is COc1cccc2[nH]cc(CCNC(=O)N3C[C@@H](n4cccn4)Cc4ccccc43)c12.
What is the InChIKey of (3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is AUDCPQOOZZQFMR-IBGZPJMESA-N. The full InChI is InChI=1S/C24H25N5O2/c1-31-22-9-4-7-20-23(22)18(15-26-20)10-12-25-24(30)28-16-19(29-13-5-11-27-29)14-17-6-2-3-8-21(17)28/h2-9,11,13,15,19,26H,10,12,14,16H2,1H3,(H,25,30)/t19-/m0/s1.
What are the key properties of (3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide?
(3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 415.50 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[2-(4-methoxy-1H-indol-3-yl)ethyl]-3-pyrazol-1-yl-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 100710098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).