[6-[(2-amino-1,6,7,8-tetrahydroimidazo[4,5-g]quinolin-5-yl)methyl]naphthalen-2-yl]methanol

C22H22N4O — CID 15131019

IUPAC[6-[(2-amino-1,6,7,8-tetrahydroimidazo[4,5-g]quinolin-5-yl)methyl]naphthalen-2-yl]methanol
SMILESNc1nc2cc3c(cc2[nH]1)CCCN3Cc1ccc2cc(CO)ccc2c1
InChIInChI=1S/C22H22N4O/c23-22-24-19-10-18-2-1-7-26(21(18)11-20(19)25-22)12-14-3-5-17-9-15(13-27)4-6-16(17)8-14/h3-6,8-11,27H,1-2,7,12-13H2,(H3,23,24,25)
InChIKeySLCHNYIKJBZPFO-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.74
Rot. Bonds3

About [6-[(2-amino-1,6,7,8-tetrahydroimidazo[4,5-g]quinolin-5-yl)methyl]naphthalen-2-yl]methanol

[6-[(2-amino-1,6,7,8-tetrahydroimidazo[4,5-g]quinolin-5-yl)methyl]naphthalen-2-yl]methanol (PubChem CID 15131019) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is [6-[(2-amino-1,6,7,8-tetrahydroimidazo[4,5-g]quinolin-5-yl)methyl]naphthalen-2-yl]methanol.

Molecular Properties

Compound Name[6-[(2-amino-1,6,7,8-tetrahydroimidazo[4,5-g]quinolin-5-yl)methyl]naphthalen-2-yl]methanol
PubChem CID15131019
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name[6-[(2-amino-1,6,7,8-tetrahydroimidazo[4,5-g]quinolin-5-yl)methyl]naphthalen-2-yl]methanol
SMILESNc1nc2cc3c(cc2[nH]1)CCCN3Cc1ccc2cc(CO)ccc2c1
InChIInChI=1S/C22H22N4O/c23-22-24-19-10-18-2-1-7-26(21(18)11-20(19)25-22)12-14-3-5-17-9-15(13-27)4-6-16(17)8-14/h3-6,8-11,27H,1-2,7,12-13H2,(H3,23,24,25)
InChIKeySLCHNYIKJBZPFO-UHFFFAOYSA-N
XLogP3.74
TPSA78.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-[(2-amino-1,6,7,8-tetrahydroimidazo[4,5-g]quinolin-5-yl)methyl]naphthalen-2-yl]methanol?
The IUPAC name of [6-[(2-amino-1,6,7,8-tetrahydroimidazo[4,5-g]quinolin-5-yl)methyl]naphthalen-2-yl]methanol (CID 15131019) is [6-[(2-amino-1,6,7,8-tetrahydroimidazo[4,5-g]quinolin-5-yl)methyl]naphthalen-2-yl]methanol.
What is the SMILES notation for [6-[(2-amino-1,6,7,8-tetrahydroimidazo[4,5-g]quinolin-5-yl)methyl]naphthalen-2-yl]methanol?
The canonical SMILES for [6-[(2-amino-1,6,7,8-tetrahydroimidazo[4,5-g]quinolin-5-yl)methyl]naphthalen-2-yl]methanol is Nc1nc2cc3c(cc2[nH]1)CCCN3Cc1ccc2cc(CO)ccc2c1.
What is the InChIKey of [6-[(2-amino-1,6,7,8-tetrahydroimidazo[4,5-g]quinolin-5-yl)methyl]naphthalen-2-yl]methanol?
The InChIKey is SLCHNYIKJBZPFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O/c23-22-24-19-10-18-2-1-7-26(21(18)11-20(19)25-22)12-14-3-5-17-9-15(13-27)4-6-16(17)8-14/h3-6,8-11,27H,1-2,7,12-13H2,(H3,23,24,25).
What are the key properties of [6-[(2-amino-1,6,7,8-tetrahydroimidazo[4,5-g]quinolin-5-yl)methyl]naphthalen-2-yl]methanol?
[6-[(2-amino-1,6,7,8-tetrahydroimidazo[4,5-g]quinolin-5-yl)methyl]naphthalen-2-yl]methanol has a molecular weight of 358.45 g/mol, XLogP of 3.74, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(2-amino-1,6,7,8-tetrahydroimidazo[4,5-g]quinolin-5-yl)methyl]naphthalen-2-yl]methanol is sourced from PubChem (CID 15131019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).