4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,8-trimethylquinoline-3-carboxamide

C27H34FN5O2 — CID 10552704

IUPAC4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,8-trimethylquinoline-3-carboxamide
SMILESCOc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C)cccc23)CC1
InChIInChI=1S/C27H34FN5O2/c1-19-7-5-8-21-25(19)30-18-22(27(34)31(2)3)26(21)29-11-6-12-32-13-15-33(16-14-32)23-10-9-20(28)17-24(23)35-4/h5,7-10,17-18H,6,11-16H2,1-4H3,(H,29,30)
InChIKeyYLYLJPNJSUBEEA-UHFFFAOYSA-N
MW479.60 g/mol
LogP4.02
Rot. Bonds8

About 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,8-trimethylquinoline-3-carboxamide

4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,8-trimethylquinoline-3-carboxamide (PubChem CID 10552704) has the molecular formula C27H34FN5O2 and a molecular weight of 479.60 g/mol. Its IUPAC name is 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,8-trimethylquinoline-3-carboxamide.

Molecular Properties

Compound Name4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,8-trimethylquinoline-3-carboxamide
PubChem CID10552704
Molecular FormulaC27H34FN5O2
Molecular Weight479.60 g/mol
Exact Mass479.27
IUPAC Name4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,8-trimethylquinoline-3-carboxamide
SMILESCOc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C)cccc23)CC1
InChIInChI=1S/C27H34FN5O2/c1-19-7-5-8-21-25(19)30-18-22(27(34)31(2)3)26(21)29-11-6-12-32-13-15-33(16-14-32)23-10-9-20(28)17-24(23)35-4/h5,7-10,17-18H,6,11-16H2,1-4H3,(H,29,30)
InChIKeyYLYLJPNJSUBEEA-UHFFFAOYSA-N
XLogP4.02
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

8-chloro-4-[3-[4-[2-(2,2,2-trifluoroethoxy)phenyl]piperazin-1-yl]propylamino]quinoline-3-carboxylic acid
CID 10673603
6-chloro-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 21473425
6-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)pyridine-3-carboxamide
CID 67704408
2-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethylamino]-N,N-dimethylbenzamide
CID 22458090
3-[4-(2-methoxyphenyl)piperazin-1-yl]-N,N-dimethyl-2-(propylamino)benzamide;hydrochloride
CID 22371024
1-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(3-morpholin-4-ylpropyl)isoquinoline-4-carboxamide
CID 126476783
2-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propyl]isoindole-1,3-dione
CID 10692180
N-[3-[4-(4-fluorophenyl)piperazin-1-yl]propyl]-2-(2-methylphenoxy)acetamide
CID 42224986
1-[4-(3,5-difluoroanilino)-8-methoxyquinolin-3-yl]butan-1-one
CID 10066839
N'-(2,3-dimethylphenyl)-N-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl]oxamide
CID 42389708
2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propyl-methylamino]-N,N-dimethylpyridine-3-carboxamide;hydrochloride
CID 21473475
N,N-diethyl-2-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propylamino]pyridine-3-carboxamide;hydrochloride
CID 21473401

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,8-trimethylquinoline-3-carboxamide?
The IUPAC name of 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,8-trimethylquinoline-3-carboxamide (CID 10552704) is 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,8-trimethylquinoline-3-carboxamide.
What is the SMILES notation for 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,8-trimethylquinoline-3-carboxamide?
The canonical SMILES for 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,8-trimethylquinoline-3-carboxamide is COc1cc(F)ccc1N1CCN(CCCNc2c(C(=O)N(C)C)cnc3c(C)cccc23)CC1.
What is the InChIKey of 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,8-trimethylquinoline-3-carboxamide?
The InChIKey is YLYLJPNJSUBEEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34FN5O2/c1-19-7-5-8-21-25(19)30-18-22(27(34)31(2)3)26(21)29-11-6-12-32-13-15-33(16-14-32)23-10-9-20(28)17-24(23)35-4/h5,7-10,17-18H,6,11-16H2,1-4H3,(H,29,30).
What are the key properties of 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,8-trimethylquinoline-3-carboxamide?
4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,8-trimethylquinoline-3-carboxamide has a molecular weight of 479.60 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-N,N,8-trimethylquinoline-3-carboxamide is sourced from PubChem (CID 10552704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).