N-[3-cyano-7-ethoxy-4-(2-fluoroanilino)-1,2,3,4-tetrahydroquinolin-6-yl]acetamide

C20H21FN4O2 — CID 145220704

IUPACN-[3-cyano-7-ethoxy-4-(2-fluoroanilino)-1,2,3,4-tetrahydroquinolin-6-yl]acetamide
SMILESCCOc1cc2c(cc1NC(C)=O)C(Nc1ccccc1F)C(C#N)CN2
InChIInChI=1S/C20H21FN4O2/c1-3-27-19-9-17-14(8-18(19)24-12(2)26)20(13(10-22)11-23-17)25-16-7-5-4-6-15(16)21/h4-9,13,20,23,25H,3,11H2,1-2H3,(H,24,26)
InChIKeyMSYDRCRZCXSROX-UHFFFAOYSA-N
MW368.41 g/mol
LogP3.90
Rot. Bonds5

About N-[3-cyano-7-ethoxy-4-(2-fluoroanilino)-1,2,3,4-tetrahydroquinolin-6-yl]acetamide

N-[3-cyano-7-ethoxy-4-(2-fluoroanilino)-1,2,3,4-tetrahydroquinolin-6-yl]acetamide (PubChem CID 145220704) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is N-[3-cyano-7-ethoxy-4-(2-fluoroanilino)-1,2,3,4-tetrahydroquinolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[3-cyano-7-ethoxy-4-(2-fluoroanilino)-1,2,3,4-tetrahydroquinolin-6-yl]acetamide
PubChem CID145220704
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC NameN-[3-cyano-7-ethoxy-4-(2-fluoroanilino)-1,2,3,4-tetrahydroquinolin-6-yl]acetamide
SMILESCCOc1cc2c(cc1NC(C)=O)C(Nc1ccccc1F)C(C#N)CN2
InChIInChI=1S/C20H21FN4O2/c1-3-27-19-9-17-14(8-18(19)24-12(2)26)20(13(10-22)11-23-17)25-16-7-5-4-6-15(16)21/h4-9,13,20,23,25H,3,11H2,1-2H3,(H,24,26)
InChIKeyMSYDRCRZCXSROX-UHFFFAOYSA-N
XLogP3.90
TPSA86.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 53.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-cyano-7-ethoxy-4-[4-[(3-methyl-2-pyridinyl)methoxy]-2-(trifluoromethyl)anilino]-1,2,3,4-tetrahydroquinolin-6-yl]-4-(dimethylamino)butanamide
CID 155109790
N-[4-[3-chloro-4-[(3-methyl-1,2,3,4-tetrahydroquinoxalin-2-yl)methoxy]anilino]-3-cyano-7-ethoxy-1,2,3,4-tetrahydroquinolin-6-yl]-4-(dimethylamino)butanamide
CID 145220614
N-[4-[2-chloro-4-[[3-(hydroxymethyl)-2-pyridinyl]methoxy]anilino]-3-cyano-7-ethoxy-1,2,3,4-tetrahydroquinolin-6-yl]-4-(dimethylamino)butanamide
CID 145220639
N-[4-[4-[[5-[[[4-[[4-[3-chloro-4-[(6-methoxypiperidin-2-yl)methoxy]anilino]-3-cyano-7-ethoxy-1,2,3,4-tetrahydroquinolin-6-yl]amino]-4-oxobutyl]-methylamino]methyl]-3-methylpiperidin-2-yl]methoxy]-3-fluoroanilino]-3-cyano-7-ethoxy-1,2,3,4-tetrahydroquinolin-6-yl]-4-(dimethylamino)butanamide
CID 145220757
N-(2-ethoxyphenyl)-2,3-dihydro-1H-indole-3-carboxamide
CID 80566121
1-[(1S,2S)-2-cyanocyclopentyl]-3-(2-ethoxyphenyl)urea
CID 97347731
N-[2,5-diethoxy-4-[(2-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 1428113
2-ethoxy-N-(2-fluorophenyl)benzamide
CID 773674
1-N-(2,6-difluorophenyl)-2-N-(2-ethoxyphenyl)cyclopropane-1,2-dicarboxamide
CID 109143509
N-(7-ethoxyquinolin-6-yl)acetamide
CID 174923563
N-[2,5-diethoxy-4-[(2-fluorobenzoyl)amino]phenyl]pyridine-4-carboxamide
CID 1172430
N-[2-(2,6-difluorophenoxy)phenyl]acetamide
CID 142846289

Frequently Asked Questions

What is the IUPAC name of N-[3-cyano-7-ethoxy-4-(2-fluoroanilino)-1,2,3,4-tetrahydroquinolin-6-yl]acetamide?
The IUPAC name of N-[3-cyano-7-ethoxy-4-(2-fluoroanilino)-1,2,3,4-tetrahydroquinolin-6-yl]acetamide (CID 145220704) is N-[3-cyano-7-ethoxy-4-(2-fluoroanilino)-1,2,3,4-tetrahydroquinolin-6-yl]acetamide.
What is the SMILES notation for N-[3-cyano-7-ethoxy-4-(2-fluoroanilino)-1,2,3,4-tetrahydroquinolin-6-yl]acetamide?
The canonical SMILES for N-[3-cyano-7-ethoxy-4-(2-fluoroanilino)-1,2,3,4-tetrahydroquinolin-6-yl]acetamide is CCOc1cc2c(cc1NC(C)=O)C(Nc1ccccc1F)C(C#N)CN2.
What is the InChIKey of N-[3-cyano-7-ethoxy-4-(2-fluoroanilino)-1,2,3,4-tetrahydroquinolin-6-yl]acetamide?
The InChIKey is MSYDRCRZCXSROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c1-3-27-19-9-17-14(8-18(19)24-12(2)26)20(13(10-22)11-23-17)25-16-7-5-4-6-15(16)21/h4-9,13,20,23,25H,3,11H2,1-2H3,(H,24,26).
What are the key properties of N-[3-cyano-7-ethoxy-4-(2-fluoroanilino)-1,2,3,4-tetrahydroquinolin-6-yl]acetamide?
N-[3-cyano-7-ethoxy-4-(2-fluoroanilino)-1,2,3,4-tetrahydroquinolin-6-yl]acetamide has a molecular weight of 368.41 g/mol, XLogP of 3.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-cyano-7-ethoxy-4-(2-fluoroanilino)-1,2,3,4-tetrahydroquinolin-6-yl]acetamide is sourced from PubChem (CID 145220704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).