4-(4-methoxy-3-methylanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide

C27H25N5O2 — CID 91970485

IUPAC4-(4-methoxy-3-methylanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide
SMILESCOc1ccc(Nc2c(C(N)=O)cnc3c(C)cc(-c4ccc5cnn(C)c5c4)cc23)cc1C
InChIInChI=1S/C27H25N5O2/c1-15-10-20(7-8-24(15)34-4)31-26-21-11-19(9-16(2)25(21)29-14-22(26)27(28)33)17-5-6-18-13-30-32(3)23(18)12-17/h5-14H,1-4H3,(H2,28,33)(H,29,31)
InChIKeyCOGPOSBXKQTVFG-UHFFFAOYSA-N
MW451.53 g/mol
LogP5.26
Rot. Bonds5

About 4-(4-methoxy-3-methylanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide

4-(4-methoxy-3-methylanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide (PubChem CID 91970485) has the molecular formula C27H25N5O2 and a molecular weight of 451.53 g/mol. Its IUPAC name is 4-(4-methoxy-3-methylanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide.

Molecular Properties

Compound Name4-(4-methoxy-3-methylanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide
PubChem CID91970485
Molecular FormulaC27H25N5O2
Molecular Weight451.53 g/mol
Exact Mass451.20
IUPAC Name4-(4-methoxy-3-methylanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide
SMILESCOc1ccc(Nc2c(C(N)=O)cnc3c(C)cc(-c4ccc5cnn(C)c5c4)cc23)cc1C
InChIInChI=1S/C27H25N5O2/c1-15-10-20(7-8-24(15)34-4)31-26-21-11-19(9-16(2)25(21)29-14-22(26)27(28)33)17-5-6-18-13-30-32(3)23(18)12-17/h5-14H,1-4H3,(H2,28,33)(H,29,31)
InChIKeyCOGPOSBXKQTVFG-UHFFFAOYSA-N
XLogP5.26
TPSA95.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.53
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 139030520
2,5-Dihydro-2-(4-methoxyphenyl)-3H-pyrazolo(4,3-c)quinolin-3-one
CID 100812
2-(4-methoxyphenyl)-8-methyl-5H-pyrazolo[4,3-c]quinolin-3-one
CID 5273071
8-Methoxy-2-phenyl-2,5-dihydro-pyrazolo-(4,3-c)quinolin-3-one
CID 10039909
3-[4-(4-Chroman-6-yl-piperazin-1-yl)-butyl]-1H-indole-5-carboxylic acid amide
CID 10410574
4-(4-methoxyphenyl)-N-[8-methyl-3-(pyrrolidin-1-ylmethyl)quinolin-7-yl]benzamide
CID 18436114
2-(3-methoxy-4-((methylamino)methyl)phenyl)-2H-indazole-7-carboxamide
CID 46226375
N-[(2-methoxyphenyl)methyl]-6-(1H-pyrazol-4-yl)-1H-indole-3-carboxamide
CID 57395998
1'-(6-Methoxyquinoline-3-carbonyl)-1-propan-2-ylspiro[4,6-dihydroindazole-5,4'-piperidine]-7-one
CID 70674464
3-methoxy-N-[3-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazole-6-carbonyl]phenyl]benzamide
CID 22978165

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxy-3-methylanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
The IUPAC name of 4-(4-methoxy-3-methylanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide (CID 91970485) is 4-(4-methoxy-3-methylanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide.
What is the SMILES notation for 4-(4-methoxy-3-methylanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
The canonical SMILES for 4-(4-methoxy-3-methylanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide is COc1ccc(Nc2c(C(N)=O)cnc3c(C)cc(-c4ccc5cnn(C)c5c4)cc23)cc1C.
What is the InChIKey of 4-(4-methoxy-3-methylanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
The InChIKey is COGPOSBXKQTVFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O2/c1-15-10-20(7-8-24(15)34-4)31-26-21-11-19(9-16(2)25(21)29-14-22(26)27(28)33)17-5-6-18-13-30-32(3)23(18)12-17/h5-14H,1-4H3,(H2,28,33)(H,29,31).
What are the key properties of 4-(4-methoxy-3-methylanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide?
4-(4-methoxy-3-methylanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide has a molecular weight of 451.53 g/mol, XLogP of 5.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxy-3-methylanilino)-8-methyl-6-(1-methylindazol-6-yl)quinoline-3-carboxamide is sourced from PubChem (CID 91970485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).