N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide

C22H18FN3O3 — CID 110623374

IUPACN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2C(=O)C1CC1)c1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C22H18FN3O3/c23-15-4-3-13-10-17(21(28)25-18(13)11-15)20(27)24-16-5-6-19-14(9-16)7-8-26(19)22(29)12-1-2-12/h3-6,9-12H,1-2,7-8H2,(H,24,27)(H,25,28)
InChIKeyNTNXQJRXGJIHQW-UHFFFAOYSA-N
MW391.40 g/mol
LogP3.22
Rot. Bonds3

About N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide

N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 110623374) has the molecular formula C22H18FN3O3 and a molecular weight of 391.40 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
PubChem CID110623374
Molecular FormulaC22H18FN3O3
Molecular Weight391.40 g/mol
Exact Mass391.13
IUPAC NameN-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCN2C(=O)C1CC1)c1cc2ccc(F)cc2[nH]c1=O
InChIInChI=1S/C22H18FN3O3/c23-15-4-3-13-10-17(21(28)25-18(13)11-15)20(27)24-16-5-6-19-14(9-16)7-8-26(19)22(29)12-1-2-12/h3-6,9-12H,1-2,7-8H2,(H,24,27)(H,25,28)
InChIKeyNTNXQJRXGJIHQW-UHFFFAOYSA-N
XLogP3.22
TPSA82.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
CID 110623201
(E)-N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(2-oxo-1H-quinolin-3-yl)prop-2-enamide
CID 110623379
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-3-(4-fluorophenyl)butanamide
CID 110312996
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-(4-fluorophenyl)propanamide
CID 110623188
[2-[[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]carbamoyl]phenyl] acetate
CID 7498545
1-cyclohexyl-3-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]urea
CID 112506054
N-(cyclopentylmethyl)-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110627525
N-(1,3-benzodioxol-5-yl)-1-(cyclopropanecarbonyl)-2,3-dihydroindole-5-carboxamide
CID 53080913
1-(cyclopropanecarbonyl)-N-(3,5-dimethylphenyl)-2,3-dihydroindole-5-carboxamide
CID 53080907
N-(2,4-difluorophenyl)-4-(2,3-dihydroindole-1-carbonyl)cyclohexane-1-carboxamide
CID 109150603
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbutanamide
CID 7656487
5-bromo-1-(cyclopropanecarbonyl)-N-(4-fluorophenyl)-2,3-dihydroindole-6-sulfonamide
CID 46505043

Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide (CID 110623374) is N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide is O=C(Nc1ccc2c(c1)CCN2C(=O)C1CC1)c1cc2ccc(F)cc2[nH]c1=O.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is NTNXQJRXGJIHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18FN3O3/c23-15-4-3-13-10-17(21(28)25-18(13)11-15)20(27)24-16-5-6-19-14(9-16)7-8-26(19)22(29)12-1-2-12/h3-6,9-12H,1-2,7-8H2,(H,24,27)(H,25,28).
What are the key properties of N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide?
N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 391.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 110623374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).