4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)cinnoline-3-carboxamide

C25H30FN5O2 — CID 25001553

IUPAC4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)cinnoline-3-carboxamide
SMILESCOc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1C1CCN(C(C)C)CC1
InChIInChI=1S/C25H30FN5O2/c1-14(2)31-9-7-16(8-10-31)17-12-18-21(13-22(17)33-4)29-30-24(25(27)32)23(18)28-20-6-5-15(3)11-19(20)26/h5-6,11-14,16H,7-10H2,1-4H3,(H2,27,32)(H,28,29)
InChIKeyGUYOKNBONQDXMG-UHFFFAOYSA-N
MW451.55 g/mol
LogP4.52
Rot. Bonds6

About 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)cinnoline-3-carboxamide

4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)cinnoline-3-carboxamide (PubChem CID 25001553) has the molecular formula C25H30FN5O2 and a molecular weight of 451.55 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)cinnoline-3-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)cinnoline-3-carboxamide
PubChem CID25001553
Molecular FormulaC25H30FN5O2
Molecular Weight451.55 g/mol
Exact Mass451.24
IUPAC Name4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)cinnoline-3-carboxamide
SMILESCOc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1C1CCN(C(C)C)CC1
InChIInChI=1S/C25H30FN5O2/c1-14(2)31-9-7-16(8-10-31)17-12-18-21(13-22(17)33-4)29-30-24(25(27)32)23(18)28-20-6-5-15(3)11-19(20)26/h5-6,11-14,16H,7-10H2,1-4H3,(H2,27,32)(H,28,29)
InChIKeyGUYOKNBONQDXMG-UHFFFAOYSA-N
XLogP4.52
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.55
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Azd-7325
CID 23581869
4-(2-Fluoro-4-methylanilino)-6-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methoxycinnoline-3-carboxamide
CID 25001557
4-amino-N-cyclopropyl-8-(3,6-dimethoxypyridazin-4-yl)-7-fluorocinnoline-3-carboxamide
CID 50905007
10-(2-Aminoethylamino)-14-[(2-aminoethylamino)methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 9977071
10-[2-(Dimethylamino)ethylamino]-14-[[2-(dimethylamino)ethylamino]methyl]-6-methoxy-1,15-diazatetracyclo[7.6.1.02,7.013,16]hexadeca-2(7),3,5,9,11,13(16),14-heptaen-8-one
CID 10478193
4-amino-8-(2,5-dimethoxyphenyl)-N-ethyl-7-fluorocinnoline-3-carboxamide
CID 23629881
4-(2,4-Difluoroanilino)-7-ethoxy-6-(1-methylpiperidin-4-yl)quinoline-3-carboxamide
CID 24795066
6-((3R,5S)-3,5-dimethylpiperazin-1-yl)-4-(2-fluoro-4-methylphenylamino)-7-methoxycinnoline-3-carboxamide
CID 24864147
4-(2-Fluoro-4-methylanilino)-6-[1-(2-hydroxyethyl)piperidin-4-yl]-7-methoxycinnoline-3-carboxamide
CID 25001554
4-[(2-Fluoro-4-methylphenyl)amino]-6-{4-[(2R)-2-hydroxypropanoyl]piperazin-1-yl}-7-methoxycinnoline-3-carboxamide
CID 25001555
4-(2,4-Difluoroanilino)-7-methoxy-6-(4-methylpiperazin-1-yl)cinnoline-3-carboxamide
CID 25001849
4-(2-Fluoro-4-methylphenylamino)-7-methoxy-6-(4-methylpiperazin-1-yl)cinnoline-3-carboxamide
CID 25001850

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)cinnoline-3-carboxamide?
The IUPAC name of 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)cinnoline-3-carboxamide (CID 25001553) is 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)cinnoline-3-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)cinnoline-3-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)cinnoline-3-carboxamide is COc1cc2nnc(C(N)=O)c(Nc3ccc(C)cc3F)c2cc1C1CCN(C(C)C)CC1.
What is the InChIKey of 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)cinnoline-3-carboxamide?
The InChIKey is GUYOKNBONQDXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30FN5O2/c1-14(2)31-9-7-16(8-10-31)17-12-18-21(13-22(17)33-4)29-30-24(25(27)32)23(18)28-20-6-5-15(3)11-19(20)26/h5-6,11-14,16H,7-10H2,1-4H3,(H2,27,32)(H,28,29).
What are the key properties of 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)cinnoline-3-carboxamide?
4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)cinnoline-3-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 4.52, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylanilino)-7-methoxy-6-(1-propan-2-ylpiperidin-4-yl)cinnoline-3-carboxamide is sourced from PubChem (CID 25001553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).