6-[1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide

C30H35FN4O2 — CID 57469404

IUPAC6-[1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCOc1cc(F)ccc1N1CCN(C(C)c2ccc3c(c2)CCCN3C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C30H35FN4O2/c1-21-6-10-26(11-7-21)32-30(36)35-14-4-5-24-19-23(8-12-27(24)35)22(2)33-15-17-34(18-16-33)28-13-9-25(31)20-29(28)37-3/h6-13,19-20,22H,4-5,14-18H2,1-3H3,(H,32,36)
InChIKeyQQGTXVHIYFXLCH-UHFFFAOYSA-N
MW502.63 g/mol
LogP6.01
Rot. Bonds5

About 6-[1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide

6-[1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide (PubChem CID 57469404) has the molecular formula C30H35FN4O2 and a molecular weight of 502.63 g/mol. Its IUPAC name is 6-[1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide.

Molecular Properties

Compound Name6-[1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
PubChem CID57469404
Molecular FormulaC30H35FN4O2
Molecular Weight502.63 g/mol
Exact Mass502.27
IUPAC Name6-[1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
SMILESCOc1cc(F)ccc1N1CCN(C(C)c2ccc3c(c2)CCCN3C(=O)Nc2ccc(C)cc2)CC1
InChIInChI=1S/C30H35FN4O2/c1-21-6-10-26(11-7-21)32-30(36)35-14-4-5-24-19-23(8-12-27(24)35)22(2)33-15-17-34(18-16-33)28-13-9-25(31)20-29(28)37-3/h6-13,19-20,22H,4-5,14-18H2,1-3H3,(H,32,36)
InChIKeyQQGTXVHIYFXLCH-UHFFFAOYSA-N
XLogP6.01
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.63
LogP ≤ 56.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-6-[1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 57469405
6-methyl-N-[4-(trifluoromethoxy)phenyl]-3,4-dihydro-2H-quinoline-1-carboxamide
CID 170101789
7-fluoro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69220426
(2S)-1-(3,4-dihydro-2H-quinolin-1-yl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-one
CID 2442399
4-(2-methoxy-5-methylphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111363
7-methoxy-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 23032395
(2R)-2-amino-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propan-1-one;dihydrochloride
CID 119888914
6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 134093336
4-(4-chloro-2,5-dimethoxyphenyl)-N-(4-methylphenyl)piperazine-1-carboxamide
CID 113111403
(2R)-N-(2-fluoro-4-methylphenyl)-2-[4-(2-methoxyphenyl)piperazin-1-yl]propanamide
CID 32724400
(2S)-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[2-(4-methylanilino)-2-oxoethyl]propanamide
CID 8687371
2-fluoro-1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-2-methylpropan-1-one
CID 122157838

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The IUPAC name of 6-[1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide (CID 57469404) is 6-[1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide.
What is the SMILES notation for 6-[1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The canonical SMILES for 6-[1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide is COc1cc(F)ccc1N1CCN(C(C)c2ccc3c(c2)CCCN3C(=O)Nc2ccc(C)cc2)CC1.
What is the InChIKey of 6-[1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
The InChIKey is QQGTXVHIYFXLCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35FN4O2/c1-21-6-10-26(11-7-21)32-30(36)35-14-4-5-24-19-23(8-12-27(24)35)22(2)33-15-17-34(18-16-33)28-13-9-25(31)20-29(28)37-3/h6-13,19-20,22H,4-5,14-18H2,1-3H3,(H,32,36).
What are the key properties of 6-[1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide?
6-[1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide has a molecular weight of 502.63 g/mol, XLogP of 6.01, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]ethyl]-N-(4-methylphenyl)-3,4-dihydro-2H-quinoline-1-carboxamide is sourced from PubChem (CID 57469404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).