6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide

C26H30FN5O3 — CID 91471113

IUPAC6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide
SMILESCOc1cc(C(=O)Nc2ccccc2N2CCOCC2)nc2c(N3CCN(C)CC3)cc(F)cc12
InChIInChI=1S/C26H30FN5O3/c1-30-7-9-31(10-8-30)23-16-18(27)15-19-24(34-2)17-21(28-25(19)23)26(33)29-20-5-3-4-6-22(20)32-11-13-35-14-12-32/h3-6,15-17H,7-14H2,1-2H3,(H,29,33)
InChIKeyDOQAVXGRGYORER-UHFFFAOYSA-N
MW479.56 g/mol
LogP3.22
Rot. Bonds5

About 6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide

6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide (PubChem CID 91471113) has the molecular formula C26H30FN5O3 and a molecular weight of 479.56 g/mol. Its IUPAC name is 6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide
PubChem CID91471113
Molecular FormulaC26H30FN5O3
Molecular Weight479.56 g/mol
Exact Mass479.23
IUPAC Name6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide
SMILESCOc1cc(C(=O)Nc2ccccc2N2CCOCC2)nc2c(N3CCN(C)CC3)cc(F)cc12
InChIInChI=1S/C26H30FN5O3/c1-30-7-9-31(10-8-30)23-16-18(27)15-19-24(34-2)17-21(28-25(19)23)26(33)29-20-5-3-4-6-22(20)32-11-13-35-14-12-32/h3-6,15-17H,7-14H2,1-2H3,(H,29,33)
InChIKeyDOQAVXGRGYORER-UHFFFAOYSA-N
XLogP3.22
TPSA70.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.56
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide with MolForge

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Related Compounds

2-methoxy-N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]benzamide
CID 49850982
3-methoxy-N-[3-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]phenyl]benzamide
CID 49850984
1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
CID 155681508
N-[2-(4-methoxyphenyl)ethyl]quinoline-2-carboxamide
CID 2093012
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Bcl-2 inhibitor PDF
CID 90466365
5-fluoro-1-methyl-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
CID 162645642
1-(2-fluoroethyl)-N-[1-[(4-piperidin-4-yloxyphenyl)methyl]-3,4-dihydro-2H-quinolin-8-yl]indole-2-carboxamide
CID 162659111
N-[(2-methoxyphenyl)methyl]quinoline-2-carboxamide
CID 485056
N-[2-(2,6-dimethylphenoxy)ethyl]-2-quinolinecarboxamide
CID 2174479
N-[2-(2-methylphenoxy)ethyl]-2-quinolinecarboxamide
CID 2295236
4-(Dimethylamino)-6-methoxy-8-(4-methyl-1-piperazinyl)-N-[4-(4-morpholinyl)phenyl]-2-quinolinecarboxamide
CID 10164215

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide?
The IUPAC name of 6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide (CID 91471113) is 6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide.
What is the SMILES notation for 6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide?
The canonical SMILES for 6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide is COc1cc(C(=O)Nc2ccccc2N2CCOCC2)nc2c(N3CCN(C)CC3)cc(F)cc12.
What is the InChIKey of 6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide?
The InChIKey is DOQAVXGRGYORER-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3/c1-30-7-9-31(10-8-30)23-16-18(27)15-19-24(34-2)17-21(28-25(19)23)26(33)29-20-5-3-4-6-22(20)32-11-13-35-14-12-32/h3-6,15-17H,7-14H2,1-2H3,(H,29,33).
What are the key properties of 6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide?
6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-4-methoxy-8-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)quinoline-2-carboxamide is sourced from PubChem (CID 91471113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).