6-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4a,5-dihydroquinolin-2-amine

C23H22N6O2 — CID 90827170

IUPAC6-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4a,5-dihydroquinolin-2-amine
SMILESCOc1ccc(Nc2nc(C3=CC=C4N=C(N)C=CC4C3)cn3ccnc23)cc1OC
InChIInChI=1S/C23H22N6O2/c1-30-19-7-5-16(12-20(19)31-2)26-22-23-25-9-10-29(23)13-18(28-22)15-3-6-17-14(11-15)4-8-21(24)27-17/h3-10,12-14H,11H2,1-2H3,(H2,24,27)(H,26,28)
InChIKeySMIDABHMSITFCV-UHFFFAOYSA-N
MW414.47 g/mol
LogP3.70
Rot. Bonds5

About 6-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4a,5-dihydroquinolin-2-amine

6-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4a,5-dihydroquinolin-2-amine (PubChem CID 90827170) has the molecular formula C23H22N6O2 and a molecular weight of 414.47 g/mol. Its IUPAC name is 6-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4a,5-dihydroquinolin-2-amine.

Molecular Properties

Compound Name6-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4a,5-dihydroquinolin-2-amine
PubChem CID90827170
Molecular FormulaC23H22N6O2
Molecular Weight414.47 g/mol
Exact Mass414.18
IUPAC Name6-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4a,5-dihydroquinolin-2-amine
SMILESCOc1ccc(Nc2nc(C3=CC=C4N=C(N)C=CC4C3)cn3ccnc23)cc1OC
InChIInChI=1S/C23H22N6O2/c1-30-19-7-5-16(12-20(19)31-2)26-22-23-25-9-10-29(23)13-18(28-22)15-3-6-17-14(11-15)4-8-21(24)27-17/h3-10,12-14H,11H2,1-2H3,(H2,24,27)(H,26,28)
InChIKeySMIDABHMSITFCV-UHFFFAOYSA-N
XLogP3.70
TPSA99.06 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4a,5-dihydroquinolin-2-amine with MolForge

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Related Compounds

6-(6-amino-3-pyridinyl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473562
6-(1,2-dihydropyridin-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 67423925
N-(3,4-dimethoxyphenyl)-6-(4-fluorophenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473196
6-(2,3-dihydro-1H-indol-6-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473507
7-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1H-quinolin-2-one
CID 59473373
5-[8-(4-ethoxy-3-methoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-1,3-dihydroinden-2-one
CID 158964988
3-[4-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]anilino]benzoic acid
CID 68794839
N-(3,4-dimethoxyphenyl)-6-[4-[1-(ethylideneamino)prop-1-en-2-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 90717776
4-[2-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]ethyl]benzamide
CID 91526165
N-(3,4-dimethoxyphenyl)-6-[1-(iodomethyl)indazol-6-yl]imidazo[1,2-a]pyrazin-8-amine
CID 134327262
6-(3-chlorophenyl)-N-(4-ethoxy-3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473185
N-(4-chloro-3-methoxyphenyl)-6-hydrazinylimidazo[1,2-a]pyrazin-8-amine
CID 107623718

Frequently Asked Questions

What is the IUPAC name of 6-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4a,5-dihydroquinolin-2-amine?
The IUPAC name of 6-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4a,5-dihydroquinolin-2-amine (CID 90827170) is 6-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4a,5-dihydroquinolin-2-amine.
What is the SMILES notation for 6-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4a,5-dihydroquinolin-2-amine?
The canonical SMILES for 6-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4a,5-dihydroquinolin-2-amine is COc1ccc(Nc2nc(C3=CC=C4N=C(N)C=CC4C3)cn3ccnc23)cc1OC.
What is the InChIKey of 6-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4a,5-dihydroquinolin-2-amine?
The InChIKey is SMIDABHMSITFCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O2/c1-30-19-7-5-16(12-20(19)31-2)26-22-23-25-9-10-29(23)13-18(28-22)15-3-6-17-14(11-15)4-8-21(24)27-17/h3-10,12-14H,11H2,1-2H3,(H2,24,27)(H,26,28).
What are the key properties of 6-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4a,5-dihydroquinolin-2-amine?
6-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4a,5-dihydroquinolin-2-amine has a molecular weight of 414.47 g/mol, XLogP of 3.70, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-(3,4-dimethoxyanilino)imidazo[1,2-a]pyrazin-6-yl]-4a,5-dihydroquinolin-2-amine is sourced from PubChem (CID 90827170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).