[4-amino-4-[amino(phenyl)methyl]-2,5-dihydroimidazo[4,5-c]quinolin-2-yl]methanol

C18H19N5O — CID 171058877

IUPAC[4-amino-4-[amino(phenyl)methyl]-2,5-dihydroimidazo[4,5-c]quinolin-2-yl]methanol
SMILESNC(c1ccccc1)C1(N)Nc2ccccc2C2=NC(CO)N=C21
InChIInChI=1S/C18H19N5O/c19-16(11-6-2-1-3-7-11)18(20)17-15(21-14(10-24)22-17)12-8-4-5-9-13(12)23-18/h1-9,14,16,23-24H,10,19-20H2
InChIKeyXZTNVNMIUPVGBS-UHFFFAOYSA-N
MW321.38 g/mol
LogP1.03
Rot. Bonds3

About [4-amino-4-[amino(phenyl)methyl]-2,5-dihydroimidazo[4,5-c]quinolin-2-yl]methanol

[4-amino-4-[amino(phenyl)methyl]-2,5-dihydroimidazo[4,5-c]quinolin-2-yl]methanol (PubChem CID 171058877) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is [4-amino-4-[amino(phenyl)methyl]-2,5-dihydroimidazo[4,5-c]quinolin-2-yl]methanol.

Molecular Properties

Compound Name[4-amino-4-[amino(phenyl)methyl]-2,5-dihydroimidazo[4,5-c]quinolin-2-yl]methanol
PubChem CID171058877
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name[4-amino-4-[amino(phenyl)methyl]-2,5-dihydroimidazo[4,5-c]quinolin-2-yl]methanol
SMILESNC(c1ccccc1)C1(N)Nc2ccccc2C2=NC(CO)N=C21
InChIInChI=1S/C18H19N5O/c19-16(11-6-2-1-3-7-11)18(20)17-15(21-14(10-24)22-17)12-8-4-5-9-13(12)23-18/h1-9,14,16,23-24H,10,19-20H2
InChIKeyXZTNVNMIUPVGBS-UHFFFAOYSA-N
XLogP1.03
TPSA109.02 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 66755771
3-amino-5-phenyl-1,3-dihydro-1,4-benzodiazepin-2-one;hydrobromide
CID 18917698
8,10-diazatricyclo[7.1.1.02,7]undeca-1(10),2,4,6-tetraen-9-amine
CID 141414595
1-[(R)-amino(phenyl)methyl]cycloheptan-1-ol
CID 22084843
1-[(4-bromophenyl)methyl]-3-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)urea
CID 5279351
2-[(1S)-1,2-diaminoethyl]-6-phenylphenol
CID 66518164
[1-(aminomethyl)cyclobutyl]-phenylmethanamine
CID 116943782
(2R,3S)-2-amino-3-bromo-3-phenylpropan-1-ol
CID 10988050
6-phenyl-3,4,4a,11-tetrahydro-2H-pyrido[2,3-b][1,4]benzodiazepine
CID 70354057
benzyl N-(2-oxo-5-phenyl-1,3-dihydro-1,4-benzodiazepin-3-yl)carbamate;hydrate
CID 22354565
3-amino-3-cyclopropyl-2-(2-phenylphenoxy)propan-1-ol
CID 114357835
3-amino-5-(2-methylphenyl)-1,3-dihydro-1,4-benzodiazepin-2-one
CID 90088874

Frequently Asked Questions

What is the IUPAC name of [4-amino-4-[amino(phenyl)methyl]-2,5-dihydroimidazo[4,5-c]quinolin-2-yl]methanol?
The IUPAC name of [4-amino-4-[amino(phenyl)methyl]-2,5-dihydroimidazo[4,5-c]quinolin-2-yl]methanol (CID 171058877) is [4-amino-4-[amino(phenyl)methyl]-2,5-dihydroimidazo[4,5-c]quinolin-2-yl]methanol.
What is the SMILES notation for [4-amino-4-[amino(phenyl)methyl]-2,5-dihydroimidazo[4,5-c]quinolin-2-yl]methanol?
The canonical SMILES for [4-amino-4-[amino(phenyl)methyl]-2,5-dihydroimidazo[4,5-c]quinolin-2-yl]methanol is NC(c1ccccc1)C1(N)Nc2ccccc2C2=NC(CO)N=C21.
What is the InChIKey of [4-amino-4-[amino(phenyl)methyl]-2,5-dihydroimidazo[4,5-c]quinolin-2-yl]methanol?
The InChIKey is XZTNVNMIUPVGBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c19-16(11-6-2-1-3-7-11)18(20)17-15(21-14(10-24)22-17)12-8-4-5-9-13(12)23-18/h1-9,14,16,23-24H,10,19-20H2.
What are the key properties of [4-amino-4-[amino(phenyl)methyl]-2,5-dihydroimidazo[4,5-c]quinolin-2-yl]methanol?
[4-amino-4-[amino(phenyl)methyl]-2,5-dihydroimidazo[4,5-c]quinolin-2-yl]methanol has a molecular weight of 321.38 g/mol, XLogP of 1.03, 3 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-amino-4-[amino(phenyl)methyl]-2,5-dihydroimidazo[4,5-c]quinolin-2-yl]methanol is sourced from PubChem (CID 171058877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).