8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine

C20H26N4O — CID 133394542

IUPAC8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine
SMILESCOc1cccc2c(NC(C)Cc3c(C)nn(C)c3C)cc(C)nc12
InChIInChI=1S/C20H26N4O/c1-12(10-17-14(3)23-24(5)15(17)4)21-18-11-13(2)22-20-16(18)8-7-9-19(20)25-6/h7-9,11-12H,10H2,1-6H3,(H,21,22)
InChIKeyVQCKIUBJJFEAIK-UHFFFAOYSA-N
MW338.46 g/mol
LogP3.95
Rot. Bonds5

About 8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine

8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine (PubChem CID 133394542) has the molecular formula C20H26N4O and a molecular weight of 338.46 g/mol. Its IUPAC name is 8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine.

Molecular Properties

Compound Name8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine
PubChem CID133394542
Molecular FormulaC20H26N4O
Molecular Weight338.46 g/mol
Exact Mass338.21
IUPAC Name8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine
SMILESCOc1cccc2c(NC(C)Cc3c(C)nn(C)c3C)cc(C)nc12
InChIInChI=1S/C20H26N4O/c1-12(10-17-14(3)23-24(5)15(17)4)21-18-11-13(2)22-20-16(18)8-7-9-19(20)25-6/h7-9,11-12H,10H2,1-6H3,(H,21,22)
InChIKeyVQCKIUBJJFEAIK-UHFFFAOYSA-N
XLogP3.95
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine with MolForge

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Related Compounds

8-methoxy-2-methyl-N-(4-methylsulfonylbutan-2-yl)quinolin-4-amine
CID 133369312
N-but-3-en-2-yl-8-methoxy-2-methylquinolin-4-amine
CID 133369005
6-methyl-N-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine
CID 99703943
6-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]pyridin-2-amine
CID 91648840
1-(8-methoxyquinolin-5-yl)-3-[(2S)-1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]urea
CID 129397300
2-fluoro-5-methoxy-4-nitro-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]aniline
CID 75438655
8-methoxy-N-(4-methoxy-2,2-dimethylbutyl)-2-methylquinolin-4-amine
CID 133459634
4-[(8-methoxy-2-methylquinolin-4-yl)amino]-4-phenylbutan-1-ol
CID 133394349
N-(3,5-dimethoxyphenyl)-N'-(8-methoxy-2-methylquinolin-4-yl)ethane-1,2-diamine
CID 167828097
2-(4,4-difluorocyclohexyl)-2-[(8-methoxy-2-methylquinolin-4-yl)amino]ethanol
CID 167774460
N-(3,4-dimethylphenyl)-8-methoxy-2-methylquinolin-4-amine;hydrochloride
CID 18590560
2-[(8-methoxy-2-methylquinolin-4-yl)amino]phenol
CID 939061

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine?
The IUPAC name of 8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine (CID 133394542) is 8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine.
What is the SMILES notation for 8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine?
The canonical SMILES for 8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine is COc1cccc2c(NC(C)Cc3c(C)nn(C)c3C)cc(C)nc12.
What is the InChIKey of 8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine?
The InChIKey is VQCKIUBJJFEAIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O/c1-12(10-17-14(3)23-24(5)15(17)4)21-18-11-13(2)22-20-16(18)8-7-9-19(20)25-6/h7-9,11-12H,10H2,1-6H3,(H,21,22).
What are the key properties of 8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine?
8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine has a molecular weight of 338.46 g/mol, XLogP of 3.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)propan-2-yl]quinolin-4-amine is sourced from PubChem (CID 133394542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).