5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-7-carboxamide

C23H22FN3O2 — CID 121293747

IUPAC5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-7-carboxamide
SMILESC=CC(=O)N1CCCc2ccc(-c3c(F)cc(C(N)=O)c4[nH]c(C)c(C)c34)cc21
InChIInChI=1S/C23H22FN3O2/c1-4-19(28)27-9-5-6-14-7-8-15(10-18(14)27)21-17(24)11-16(23(25)29)22-20(21)12(2)13(3)26-22/h4,7-8,10-11,26H,1,5-6,9H2,2-3H3,(H2,25,29)
InChIKeyHKVPTAQTMRTQAW-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.15
Rot. Bonds3

About 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-7-carboxamide

5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-7-carboxamide (PubChem CID 121293747) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-7-carboxamide
PubChem CID121293747
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC Name5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-7-carboxamide
SMILESC=CC(=O)N1CCCc2ccc(-c3c(F)cc(C(N)=O)c4[nH]c(C)c(C)c34)cc21
InChIInChI=1S/C23H22FN3O2/c1-4-19(28)27-9-5-6-14-7-8-15(10-18(14)27)21-17(24)11-16(23(25)29)22-20(21)12(2)13(3)26-22/h4,7-8,10-11,26H,1,5-6,9H2,2-3H3,(H2,25,29)
InChIKeyHKVPTAQTMRTQAW-UHFFFAOYSA-N
XLogP4.15
TPSA79.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.45
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-7-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 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-7-carboxamide?
The IUPAC name of 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-7-carboxamide (CID 121293747) is 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-7-carboxamide.
What is the SMILES notation for 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-7-carboxamide?
The canonical SMILES for 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-7-carboxamide is C=CC(=O)N1CCCc2ccc(-c3c(F)cc(C(N)=O)c4[nH]c(C)c(C)c34)cc21.
What is the InChIKey of 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-7-carboxamide?
The InChIKey is HKVPTAQTMRTQAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-4-19(28)27-9-5-6-14-7-8-15(10-18(14)27)21-17(24)11-16(23(25)29)22-20(21)12(2)13(3)26-22/h4,7-8,10-11,26H,1,5-6,9H2,2-3H3,(H2,25,29).
What are the key properties of 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-7-carboxamide?
5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-7-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 4.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2,3-dimethyl-4-(1-prop-2-enoyl-3,4-dihydro-2H-quinolin-7-yl)-1H-indole-7-carboxamide is sourced from PubChem (CID 121293747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).