3-[(4-aminocyclohexyl)methoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine

C26H27N5O — CID 154604645

IUPAC3-[(4-aminocyclohexyl)methoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1OCC1CCC(N)CC1
InChIInChI=1S/C26H27N5O/c27-21-11-8-17(9-12-21)16-32-26-25(28)30-23(18-5-2-1-3-6-18)24(31-26)20-10-13-22-19(15-20)7-4-14-29-22/h1-7,10,13-15,17,21H,8-9,11-12,16,27H2,(H2,28,30)
InChIKeyYQCOREMEBPSCRY-UHFFFAOYSA-N
MW425.54 g/mol
LogP4.84
Rot. Bonds5

About 3-[(4-aminocyclohexyl)methoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine

3-[(4-aminocyclohexyl)methoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine (PubChem CID 154604645) has the molecular formula C26H27N5O and a molecular weight of 425.54 g/mol. Its IUPAC name is 3-[(4-aminocyclohexyl)methoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine.

Molecular Properties

Compound Name3-[(4-aminocyclohexyl)methoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
PubChem CID154604645
Molecular FormulaC26H27N5O
Molecular Weight425.54 g/mol
Exact Mass425.22
IUPAC Name3-[(4-aminocyclohexyl)methoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
SMILESNc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1OCC1CCC(N)CC1
InChIInChI=1S/C26H27N5O/c27-21-11-8-17(9-12-21)16-32-26-25(28)30-23(18-5-2-1-3-6-18)24(31-26)20-10-13-22-19(15-20)7-4-14-29-22/h1-7,10,13-15,17,21H,8-9,11-12,16,27H2,(H2,28,30)
InChIKeyYQCOREMEBPSCRY-UHFFFAOYSA-N
XLogP4.84
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.54
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
6-[1-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxy-2-methylpropan-2-yl]pyridine-2-carbonitrile
CID 154604405
2-[6-[2-(3-amino-5-phenyl-6-quinolin-6-ylpyrazin-2-yl)oxyethyl]-2-pyridinyl]propan-2-ol
CID 154658300
3-cyclopropyl-6-pyridin-1-ium-1-yl-5-quinolin-6-ylpyrazin-2-amine
CID 157131092
3-amino-5-phenyl-N-piperidin-3-yl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154656204
4-quinolin-6-yloxycyclohexan-1-amine
CID 83719875
5-(8-chloroquinolin-6-yl)-3-(cyclopropylmethylsulfanyl)-6-phenylpyrazin-2-amine
CID 137430407
3-amino-5-phenyl-N-(pyrimidin-5-ylmethyl)-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154604481
3-amino-N-(3-cyclopropyl-4-fluoro-2-pyridinyl)-5-phenyl-6-quinolin-6-ylpyrazine-2-carboxamide
CID 154658269
3-amino-5-(3-methylphenyl)-6-quinolin-6-ylpyrazine-2-carbonitrile
CID 137430158
3-(6-amino-5-bromo-3-quinolin-6-ylpyrazin-2-yl)benzonitrile
CID 154604788
2-cyclopropyl-3-methyl-5-quinolin-6-ylimidazol-4-amine
CID 63968686

Frequently Asked Questions

What is the IUPAC name of 3-[(4-aminocyclohexyl)methoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
The IUPAC name of 3-[(4-aminocyclohexyl)methoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine (CID 154604645) is 3-[(4-aminocyclohexyl)methoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine.
What is the SMILES notation for 3-[(4-aminocyclohexyl)methoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
The canonical SMILES for 3-[(4-aminocyclohexyl)methoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine is Nc1nc(-c2ccccc2)c(-c2ccc3ncccc3c2)nc1OCC1CCC(N)CC1.
What is the InChIKey of 3-[(4-aminocyclohexyl)methoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
The InChIKey is YQCOREMEBPSCRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O/c27-21-11-8-17(9-12-21)16-32-26-25(28)30-23(18-5-2-1-3-6-18)24(31-26)20-10-13-22-19(15-20)7-4-14-29-22/h1-7,10,13-15,17,21H,8-9,11-12,16,27H2,(H2,28,30).
What are the key properties of 3-[(4-aminocyclohexyl)methoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine?
3-[(4-aminocyclohexyl)methoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine has a molecular weight of 425.54 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-aminocyclohexyl)methoxy]-6-phenyl-5-quinolin-6-ylpyrazin-2-amine is sourced from PubChem (CID 154604645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).