N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-trimethylsilylprop-2-ynyl)quinolin-6-amine

C27H30N4O2Si — CID 123260407

IUPACN-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-trimethylsilylprop-2-ynyl)quinolin-6-amine
SMILESCOc1cc(OC)cc(N(CC#C[Si](C)(C)C)c2ccc3ncc(-c4cnn(C)c4)cc3c2)c1
InChIInChI=1S/C27H30N4O2Si/c1-30-19-22(18-29-30)21-12-20-13-23(8-9-27(20)28-17-21)31(10-7-11-34(4,5)6)24-14-25(32-2)16-26(15-24)33-3/h8-9,12-19H,10H2,1-6H3
InChIKeyVFQPYWSRPPVYIS-UHFFFAOYSA-N
MW470.65 g/mol
LogP5.67
Rot. Bonds6

About N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-trimethylsilylprop-2-ynyl)quinolin-6-amine

N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-trimethylsilylprop-2-ynyl)quinolin-6-amine (PubChem CID 123260407) has the molecular formula C27H30N4O2Si and a molecular weight of 470.65 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-trimethylsilylprop-2-ynyl)quinolin-6-amine.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-trimethylsilylprop-2-ynyl)quinolin-6-amine
PubChem CID123260407
Molecular FormulaC27H30N4O2Si
Molecular Weight470.65 g/mol
Exact Mass470.21
IUPAC NameN-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-trimethylsilylprop-2-ynyl)quinolin-6-amine
SMILESCOc1cc(OC)cc(N(CC#C[Si](C)(C)C)c2ccc3ncc(-c4cnn(C)c4)cc3c2)c1
InChIInChI=1S/C27H30N4O2Si/c1-30-19-22(18-29-30)21-12-20-13-23(8-9-27(20)28-17-21)31(10-7-11-34(4,5)6)24-14-25(32-2)16-26(15-24)33-3/h8-9,12-19H,10H2,1-6H3
InChIKeyVFQPYWSRPPVYIS-UHFFFAOYSA-N
XLogP5.67
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.65
LogP ≤ 55.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(3,5-dimethoxyphenyl)-N-[3-(3-methoxy-2-pyridinyl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N-(3,5-dimethoxyphenyl)-N-[3-(4-methoxypyrimidin-2-yl)prop-2-ynyl]-3-(1-methylpyrazol-4-yl)quinolin-6-amine;N'-(3,5-dimethoxyphenyl)-N'-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]-N-propan-2-ylethane-1,2-diamine
CID 161248137
N-[3,5-bis(trideuteriomethoxy)phenyl]-3-(1-propan-2-ylpyrazol-4-yl)-N-(3-trimethylsilylprop-2-ynyl)quinoxalin-6-amine
CID 89447080
4-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinoxalin-6-yl]anilino)prop-1-ynyl]pyridine-2-carbonitrile
CID 89447430
N-butyl-N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-1,7-naphthyridin-6-amine
CID 138463538
N-[[1-[3-(3,5-dimethoxy-N-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]anilino)propyl]pyrrolidin-2-yl]methyl]sulfamoyl fluoride
CID 135290943
(3,5-dimethoxyphenyl)-[3-(1-methylpyrazol-4-yl)quinolin-6-yl]methanone
CID 71554991
N-(3,5-dimethoxyphenyl)-N-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]ethyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 89447288
N-(3,5-dimethoxyphenyl)-N-[(1-methylcyclobutyl)methyl]-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122644045
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-morpholin-4-ylethyl)quinoxalin-6-amine;hydrochloride
CID 54591287
N-(3,5-dimethoxyphenyl)-N-(2-fluorobutyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 122644047
N-(3,5-dimethoxyphenyl)-N-(1,3-dioxolan-4-ylmethyl)-3-(1-methylpyrazol-4-yl)quinoxalin-6-amine
CID 134486867
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(2-nitrosopropyl)quinoxalin-6-amine
CID 123722363

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-trimethylsilylprop-2-ynyl)quinolin-6-amine?
The IUPAC name of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-trimethylsilylprop-2-ynyl)quinolin-6-amine (CID 123260407) is N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-trimethylsilylprop-2-ynyl)quinolin-6-amine.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-trimethylsilylprop-2-ynyl)quinolin-6-amine?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-trimethylsilylprop-2-ynyl)quinolin-6-amine is COc1cc(OC)cc(N(CC#C[Si](C)(C)C)c2ccc3ncc(-c4cnn(C)c4)cc3c2)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-trimethylsilylprop-2-ynyl)quinolin-6-amine?
The InChIKey is VFQPYWSRPPVYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N4O2Si/c1-30-19-22(18-29-30)21-12-20-13-23(8-9-27(20)28-17-21)31(10-7-11-34(4,5)6)24-14-25(32-2)16-26(15-24)33-3/h8-9,12-19H,10H2,1-6H3.
What are the key properties of N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-trimethylsilylprop-2-ynyl)quinolin-6-amine?
N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-trimethylsilylprop-2-ynyl)quinolin-6-amine has a molecular weight of 470.65 g/mol, XLogP of 5.67, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-3-(1-methylpyrazol-4-yl)-N-(3-trimethylsilylprop-2-ynyl)quinolin-6-amine is sourced from PubChem (CID 123260407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).