N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide

C23H22FN3O2 — CID 110623201

IUPACN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1
InChIInChI=1S/C23H22FN3O2/c1-13-21(18-12-16(24)6-8-19(18)25-13)22(28)26-17-7-9-20-15(11-17)3-2-10-27(20)23(29)14-4-5-14/h6-9,11-12,14,25H,2-5,10H2,1H3,(H,26,28)
InChIKeyZJJVKHPSDKHRCA-UHFFFAOYSA-N
MW391.45 g/mol
LogP4.56
Rot. Bonds3

About N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide

N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide (PubChem CID 110623201) has the molecular formula C23H22FN3O2 and a molecular weight of 391.45 g/mol. Its IUPAC name is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
PubChem CID110623201
Molecular FormulaC23H22FN3O2
Molecular Weight391.45 g/mol
Exact Mass391.17
IUPAC NameN-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide
SMILESCc1[nH]c2ccc(F)cc2c1C(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1
InChIInChI=1S/C23H22FN3O2/c1-13-21(18-12-16(24)6-8-19(18)25-13)22(28)26-17-7-9-20-15(11-17)3-2-10-27(20)23(29)14-4-5-14/h6-9,11-12,14,25H,2-5,10H2,1H3,(H,26,28)
InChIKeyZJJVKHPSDKHRCA-UHFFFAOYSA-N
XLogP4.56
TPSA65.20 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 ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide?
The IUPAC name of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide (CID 110623201) is N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide.
What is the SMILES notation for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide?
The canonical SMILES for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide is Cc1[nH]c2ccc(F)cc2c1C(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1.
What is the InChIKey of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide?
The InChIKey is ZJJVKHPSDKHRCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN3O2/c1-13-21(18-12-16(24)6-8-19(18)25-13)22(28)26-17-7-9-20-15(11-17)3-2-10-27(20)23(29)14-4-5-14/h6-9,11-12,14,25H,2-5,10H2,1H3,(H,26,28).
What are the key properties of N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide?
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide has a molecular weight of 391.45 g/mol, XLogP of 4.56, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-5-fluoro-2-methyl-1H-indole-3-carboxamide is sourced from PubChem (CID 110623201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).