4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)quinolin-7-amine

C16H16N4 — CID 103002037

IUPAC4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)quinolin-7-amine
SMILESNc1ccc2c(-n3cnc4c3CCCC4)ccnc2c1
InChIInChI=1S/C16H16N4/c17-11-5-6-12-14(9-11)18-8-7-15(12)20-10-19-13-3-1-2-4-16(13)20/h5-10H,1-4,17H2
InChIKeyYETFGRCTFHFNBO-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.88
Rot. Bonds1

About 4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)quinolin-7-amine

4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)quinolin-7-amine (PubChem CID 103002037) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)quinolin-7-amine.

Molecular Properties

Compound Name4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)quinolin-7-amine
PubChem CID103002037
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)quinolin-7-amine
SMILESNc1ccc2c(-n3cnc4c3CCCC4)ccnc2c1
InChIInChI=1S/C16H16N4/c17-11-5-6-12-14(9-11)18-8-7-15(12)20-10-19-13-3-1-2-4-16(13)20/h5-10H,1-4,17H2
InChIKeyYETFGRCTFHFNBO-UHFFFAOYSA-N
XLogP2.88
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(7-aminoquinolin-4-yl)-1,2,4-triazole-3-carbonitrile
CID 103002014
4-(2-cyclopentylpyrrolidin-1-yl)quinolin-7-amine
CID 103000935
2-(7-aminoquinolin-4-yl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-ol
CID 103001686
4-(4-propan-2-ylpiperidin-1-yl)quinolin-7-amine
CID 103505187
5-fluoro-4-methyl-2-(4,5,6,7-tetrahydrobenzimidazol-1-yl)aniline
CID 103590887
5-chloro-6-(4,5,6,7-tetrahydrobenzimidazol-1-yl)pyridin-3-amine
CID 114046358
2-(7-aminoquinolin-4-yl)-1,3,4,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-6-one
CID 103001618
4-piperidin-1-ylquinolin-6-amine
CID 105484963
1-(7-aminoquinolin-4-yl)-N-methylpyrrolidine-2-carboxamide
CID 103000781
6,7,8,9-tetrahydrophenazin-2-amine
CID 13491386
1-[5-(chloromethyl)-2-methylphenyl]-4,5,6,7-tetrahydrobenzimidazole
CID 105405946
4-(3-methyl-1,1-dioxo-1,4-thiazinan-4-yl)quinolin-7-amine
CID 103001963

Frequently Asked Questions

What is the IUPAC name of 4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)quinolin-7-amine?
The IUPAC name of 4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)quinolin-7-amine (CID 103002037) is 4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)quinolin-7-amine.
What is the SMILES notation for 4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)quinolin-7-amine?
The canonical SMILES for 4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)quinolin-7-amine is Nc1ccc2c(-n3cnc4c3CCCC4)ccnc2c1.
What is the InChIKey of 4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)quinolin-7-amine?
The InChIKey is YETFGRCTFHFNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-11-5-6-12-14(9-11)18-8-7-15(12)20-10-19-13-3-1-2-4-16(13)20/h5-10H,1-4,17H2.
What are the key properties of 4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)quinolin-7-amine?
4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)quinolin-7-amine has a molecular weight of 264.33 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5,6,7-tetrahydrobenzimidazol-1-yl)quinolin-7-amine is sourced from PubChem (CID 103002037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).