2-[(3-imidazol-1-ylpropylamino)-(1-methyltetrazol-5-yl)methyl]quinolin-8-ol

C18H20N8O — CID 25059136

IUPAC2-[(3-imidazol-1-ylpropylamino)-(1-methyltetrazol-5-yl)methyl]quinolin-8-ol
SMILESCn1nnnc1C(NCCCn1ccnc1)c1ccc2cccc(O)c2n1
InChIInChI=1S/C18H20N8O/c1-25-18(22-23-24-25)17(20-8-3-10-26-11-9-19-12-26)14-7-6-13-4-2-5-15(27)16(13)21-14/h2,4-7,9,11-12,17,20,27H,3,8,10H2,1H3
InChIKeyMRZFCUCSVHSVLC-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.43
Rot. Bonds7

About 2-[(3-imidazol-1-ylpropylamino)-(1-methyltetrazol-5-yl)methyl]quinolin-8-ol

2-[(3-imidazol-1-ylpropylamino)-(1-methyltetrazol-5-yl)methyl]quinolin-8-ol (PubChem CID 25059136) has the molecular formula C18H20N8O and a molecular weight of 364.41 g/mol. Its IUPAC name is 2-[(3-imidazol-1-ylpropylamino)-(1-methyltetrazol-5-yl)methyl]quinolin-8-ol.

Molecular Properties

Compound Name2-[(3-imidazol-1-ylpropylamino)-(1-methyltetrazol-5-yl)methyl]quinolin-8-ol
PubChem CID25059136
Molecular FormulaC18H20N8O
Molecular Weight364.41 g/mol
Exact Mass364.18
IUPAC Name2-[(3-imidazol-1-ylpropylamino)-(1-methyltetrazol-5-yl)methyl]quinolin-8-ol
SMILESCn1nnnc1C(NCCCn1ccnc1)c1ccc2cccc(O)c2n1
InChIInChI=1S/C18H20N8O/c1-25-18(22-23-24-25)17(20-8-3-10-26-11-9-19-12-26)14-7-6-13-4-2-5-15(27)16(13)21-14/h2,4-7,9,11-12,17,20,27H,3,8,10H2,1H3
InChIKeyMRZFCUCSVHSVLC-UHFFFAOYSA-N
XLogP1.43
TPSA106.57 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

N-[(1-butyltetrazol-5-yl)-quinolin-2-ylmethyl]-3-imidazol-1-ylpropan-1-amine
CID 25063042
N-[1-benzofuran-2-yl-(1-butyltetrazol-5-yl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 25063043
8-(3-imidazol-1-ylpropoxy)-2-methylquinoline
CID 75499778
2-[1-(3-imidazol-1-ylpropyl)triazol-4-yl]-8-methoxyquinoline
CID 70709600
3-imidazol-1-yl-N-[1-(3-methylphenyl)ethyl]propan-1-amine
CID 43773811
2-[1-(2-imidazol-1-ylethylamino)ethyl]naphthalen-1-ol
CID 61326336
N-(2-imidazol-1-ylethyl)-1-methyltetrazol-5-amine
CID 63150127
3-imidazol-1-yl-N-[(1R)-1-(4-methoxyphenyl)ethyl]propan-1-amine
CID 28993976
N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43126802
3-[1-(3-imidazol-1-ylpropylamino)ethyl]benzenesulfonamide
CID 43773780
3-imidazol-1-yl-N-[1-(3-methoxyphenyl)ethyl]propan-1-amine
CID 43126793
1-chloro-N-(3-imidazol-1-ylpropyl)-3-phenylpropan-2-amine
CID 65025528

Frequently Asked Questions

What is the IUPAC name of 2-[(3-imidazol-1-ylpropylamino)-(1-methyltetrazol-5-yl)methyl]quinolin-8-ol?
The IUPAC name of 2-[(3-imidazol-1-ylpropylamino)-(1-methyltetrazol-5-yl)methyl]quinolin-8-ol (CID 25059136) is 2-[(3-imidazol-1-ylpropylamino)-(1-methyltetrazol-5-yl)methyl]quinolin-8-ol.
What is the SMILES notation for 2-[(3-imidazol-1-ylpropylamino)-(1-methyltetrazol-5-yl)methyl]quinolin-8-ol?
The canonical SMILES for 2-[(3-imidazol-1-ylpropylamino)-(1-methyltetrazol-5-yl)methyl]quinolin-8-ol is Cn1nnnc1C(NCCCn1ccnc1)c1ccc2cccc(O)c2n1.
What is the InChIKey of 2-[(3-imidazol-1-ylpropylamino)-(1-methyltetrazol-5-yl)methyl]quinolin-8-ol?
The InChIKey is MRZFCUCSVHSVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N8O/c1-25-18(22-23-24-25)17(20-8-3-10-26-11-9-19-12-26)14-7-6-13-4-2-5-15(27)16(13)21-14/h2,4-7,9,11-12,17,20,27H,3,8,10H2,1H3.
What are the key properties of 2-[(3-imidazol-1-ylpropylamino)-(1-methyltetrazol-5-yl)methyl]quinolin-8-ol?
2-[(3-imidazol-1-ylpropylamino)-(1-methyltetrazol-5-yl)methyl]quinolin-8-ol has a molecular weight of 364.41 g/mol, XLogP of 1.43, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-imidazol-1-ylpropylamino)-(1-methyltetrazol-5-yl)methyl]quinolin-8-ol is sourced from PubChem (CID 25059136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).