5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide

C20H16FN3O2 — CID 110613684

IUPAC5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)Nc1ccc2cc(C)c(=O)[nH]c2c1
InChIInChI=1S/C20H16FN3O2/c1-10-7-12-3-5-14(9-17(12)24-19(10)25)23-20(26)18-11(2)22-16-6-4-13(21)8-15(16)18/h3-9,22H,1-2H3,(H,23,26)(H,24,25)
InChIKeyOHGNZXJUPBWOPN-UHFFFAOYSA-N
MW349.37 g/mol
LogP4.02
Rot. Bonds2

About 5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide

5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide (PubChem CID 110613684) has the molecular formula C20H16FN3O2 and a molecular weight of 349.37 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide
PubChem CID110613684
Molecular FormulaC20H16FN3O2
Molecular Weight349.37 g/mol
Exact Mass349.12
IUPAC Name5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)Nc1ccc2cc(C)c(=O)[nH]c2c1
InChIInChI=1S/C20H16FN3O2/c1-10-7-12-3-5-14(9-17(12)24-19(10)25)23-20(26)18-11(2)22-16-6-4-13(21)8-15(16)18/h3-9,22H,1-2H3,(H,23,26)(H,24,25)
InChIKeyOHGNZXJUPBWOPN-UHFFFAOYSA-N
XLogP4.02
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.37
LogP ≤ 54.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110604374
3,4-difluoro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110427991
3-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110427940
N-(3-methyl-2-oxo-1H-quinolin-7-yl)propanamide
CID 110427931
5-fluoro-2-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)-1H-indole-3-carboxamide
CID 110623482
6-fluoro-N-(4-methoxyphenyl)-2-methyl-1H-indole-3-carboxamide
CID 110860042
2,5,6-trimethyl-N-(4-methylphenyl)-1H-indole-3-carboxamide
CID 135016973
3-chloro-N-(3-methyl-2-oxo-1H-quinolin-7-yl)benzamide
CID 110604388
2,3-dimethyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)quinoxaline-6-carboxamide
CID 110618929
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110623201
N-(3-methyl-2-oxo-1H-quinolin-7-yl)-6-oxo-4,5-dihydro-1H-pyridazine-3-carboxamide
CID 110668240
1-(5-fluoro-2-methyl-1H-indol-3-yl)-2-methylpropan-1-one
CID 82079500

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide?
The IUPAC name of 5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide (CID 110613684) is 5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide?
The canonical SMILES for 5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide is Cc1[nH]c2ccc(F)cc2c1C(=O)Nc1ccc2cc(C)c(=O)[nH]c2c1.
What is the InChIKey of 5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide?
The InChIKey is OHGNZXJUPBWOPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O2/c1-10-7-12-3-5-14(9-17(12)24-19(10)25)23-20(26)18-11(2)22-16-6-4-13(21)8-15(16)18/h3-9,22H,1-2H3,(H,23,26)(H,24,25).
What are the key properties of 5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide?
5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide has a molecular weight of 349.37 g/mol, XLogP of 4.02, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-(3-methyl-2-oxo-1H-quinolin-7-yl)-1H-indole-3-carboxamide is sourced from PubChem (CID 110613684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).