5-[7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethyl-7-propan-2-yl-1H-indole-3-carboxamide

C24H27F2N3O — CID 178139268

IUPAC5-[7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethyl-7-propan-2-yl-1H-indole-3-carboxamide
SMILESCC(C)c1cc(N2CCCc3ccc(C(F)F)cc32)cc2c(C(=O)N(C)C)c[nH]c12
InChIInChI=1S/C24H27F2N3O/c1-14(2)18-11-17(12-19-20(13-27-22(18)19)24(30)28(3)4)29-9-5-6-15-7-8-16(23(25)26)10-21(15)29/h7-8,10-14,23,27H,5-6,9H2,1-4H3
InChIKeyXIIOSKYYHLLMSY-UHFFFAOYSA-N
MW411.50 g/mol
LogP6.01
Rot. Bonds4

About 5-[7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethyl-7-propan-2-yl-1H-indole-3-carboxamide

5-[7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethyl-7-propan-2-yl-1H-indole-3-carboxamide (PubChem CID 178139268) has the molecular formula C24H27F2N3O and a molecular weight of 411.50 g/mol. Its IUPAC name is 5-[7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethyl-7-propan-2-yl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-[7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethyl-7-propan-2-yl-1H-indole-3-carboxamide
PubChem CID178139268
Molecular FormulaC24H27F2N3O
Molecular Weight411.50 g/mol
Exact Mass411.21
IUPAC Name5-[7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethyl-7-propan-2-yl-1H-indole-3-carboxamide
SMILESCC(C)c1cc(N2CCCc3ccc(C(F)F)cc32)cc2c(C(=O)N(C)C)c[nH]c12
InChIInChI=1S/C24H27F2N3O/c1-14(2)18-11-17(12-19-20(13-27-22(18)19)24(30)28(3)4)29-9-5-6-15-7-8-16(23(25)26)10-21(15)29/h7-8,10-14,23,27H,5-6,9H2,1-4H3
InChIKeyXIIOSKYYHLLMSY-UHFFFAOYSA-N
XLogP6.01
TPSA39.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.50
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethyl-7-propan-2-yl-1H-indole-3-carboxamide?
The IUPAC name of 5-[7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethyl-7-propan-2-yl-1H-indole-3-carboxamide (CID 178139268) is 5-[7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethyl-7-propan-2-yl-1H-indole-3-carboxamide.
What is the SMILES notation for 5-[7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethyl-7-propan-2-yl-1H-indole-3-carboxamide?
The canonical SMILES for 5-[7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethyl-7-propan-2-yl-1H-indole-3-carboxamide is CC(C)c1cc(N2CCCc3ccc(C(F)F)cc32)cc2c(C(=O)N(C)C)c[nH]c12.
What is the InChIKey of 5-[7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethyl-7-propan-2-yl-1H-indole-3-carboxamide?
The InChIKey is XIIOSKYYHLLMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27F2N3O/c1-14(2)18-11-17(12-19-20(13-27-22(18)19)24(30)28(3)4)29-9-5-6-15-7-8-16(23(25)26)10-21(15)29/h7-8,10-14,23,27H,5-6,9H2,1-4H3.
What are the key properties of 5-[7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethyl-7-propan-2-yl-1H-indole-3-carboxamide?
5-[7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethyl-7-propan-2-yl-1H-indole-3-carboxamide has a molecular weight of 411.50 g/mol, XLogP of 6.01, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-N,N-dimethyl-7-propan-2-yl-1H-indole-3-carboxamide is sourced from PubChem (CID 178139268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).