(4-amino-1H-imidazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

C13H14N4O — CID 117213919

IUPAC(4-amino-1H-imidazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESNc1nc[nH]c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C13H14N4O/c14-12-11(15-8-16-12)13(18)17-7-3-5-9-4-1-2-6-10(9)17/h1-2,4,6,8H,3,5,7,14H2,(H,15,16)
InChIKeySPJAHLQAKMHTAT-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.58
Rot. Bonds1

About (4-amino-1H-imidazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone

(4-amino-1H-imidazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 117213919) has the molecular formula C13H14N4O and a molecular weight of 242.28 g/mol. Its IUPAC name is (4-amino-1H-imidazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(4-amino-1H-imidazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID117213919
Molecular FormulaC13H14N4O
Molecular Weight242.28 g/mol
Exact Mass242.12
IUPAC Name(4-amino-1H-imidazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESNc1nc[nH]c1C(=O)N1CCCc2ccccc21
InChIInChI=1S/C13H14N4O/c14-12-11(15-8-16-12)13(18)17-7-3-5-9-4-1-2-6-10(9)17/h1-2,4,6,8H,3,5,7,14H2,(H,15,16)
InChIKeySPJAHLQAKMHTAT-UHFFFAOYSA-N
XLogP1.58
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
3,4-dihydro-2H-quinolin-1-yl-[5-(methylamino)pyrazin-2-yl]methanone
CID 107374099
6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
CID 43558372
[2-(3,4-dihydro-2H-quinoline-1-carbonyl)-4-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109091635
(5-amino-1,2-thiazol-4-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 117213473
(4-aminophenyl)-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10587836
(3-aminofuran-2-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 139690672
2-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-4-one
CID 110857132
(5-anilino-2-pyridinyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109197060
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-methylpyrazole-5-carboxylic acid
CID 19579066
3,4-dihydro-2H-quinolin-1-yl-[5-(propan-2-ylamino)-2-pyridinyl]methanone
CID 109179730
[5-(azepan-1-yl)-2-pyridinyl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 109196863

Frequently Asked Questions

What is the IUPAC name of (4-amino-1H-imidazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (4-amino-1H-imidazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 117213919) is (4-amino-1H-imidazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (4-amino-1H-imidazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (4-amino-1H-imidazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is Nc1nc[nH]c1C(=O)N1CCCc2ccccc21.
What is the InChIKey of (4-amino-1H-imidazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is SPJAHLQAKMHTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O/c14-12-11(15-8-16-12)13(18)17-7-3-5-9-4-1-2-6-10(9)17/h1-2,4,6,8H,3,5,7,14H2,(H,15,16).
What are the key properties of (4-amino-1H-imidazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone?
(4-amino-1H-imidazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 242.28 g/mol, XLogP of 1.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-1H-imidazol-5-yl)-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 117213919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).