2-amino-1-[2-(5-propyl-1H-imidazol-2-yl)-3,4,6,7-tetrahydro-2H-quinolin-1-yl]propan-1-one

C18H26N4O — CID 142138705

IUPAC2-amino-1-[2-(5-propyl-1H-imidazol-2-yl)-3,4,6,7-tetrahydro-2H-quinolin-1-yl]propan-1-one
SMILESCCCc1cnc(C2CCC3=CCCC=C3N2C(=O)C(C)N)[nH]1
InChIInChI=1S/C18H26N4O/c1-3-6-14-11-20-17(21-14)16-10-9-13-7-4-5-8-15(13)22(16)18(23)12(2)19/h7-8,11-12,16H,3-6,9-10,19H2,1-2H3,(H,20,21)
InChIKeyDXYFIGJCKJCPCQ-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.98
Rot. Bonds4

About 2-amino-1-[2-(5-propyl-1H-imidazol-2-yl)-3,4,6,7-tetrahydro-2H-quinolin-1-yl]propan-1-one

2-amino-1-[2-(5-propyl-1H-imidazol-2-yl)-3,4,6,7-tetrahydro-2H-quinolin-1-yl]propan-1-one (PubChem CID 142138705) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-amino-1-[2-(5-propyl-1H-imidazol-2-yl)-3,4,6,7-tetrahydro-2H-quinolin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-amino-1-[2-(5-propyl-1H-imidazol-2-yl)-3,4,6,7-tetrahydro-2H-quinolin-1-yl]propan-1-one
PubChem CID142138705
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-amino-1-[2-(5-propyl-1H-imidazol-2-yl)-3,4,6,7-tetrahydro-2H-quinolin-1-yl]propan-1-one
SMILESCCCc1cnc(C2CCC3=CCCC=C3N2C(=O)C(C)N)[nH]1
InChIInChI=1S/C18H26N4O/c1-3-6-14-11-20-17(21-14)16-10-9-13-7-4-5-8-15(13)22(16)18(23)12(2)19/h7-8,11-12,16H,3-6,9-10,19H2,1-2H3,(H,20,21)
InChIKeyDXYFIGJCKJCPCQ-UHFFFAOYSA-N
XLogP2.98
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[2-(5-propyl-1H-imidazol-2-yl)-3,4,6,7-tetrahydro-2H-quinolin-1-yl]propan-1-one?
The IUPAC name of 2-amino-1-[2-(5-propyl-1H-imidazol-2-yl)-3,4,6,7-tetrahydro-2H-quinolin-1-yl]propan-1-one (CID 142138705) is 2-amino-1-[2-(5-propyl-1H-imidazol-2-yl)-3,4,6,7-tetrahydro-2H-quinolin-1-yl]propan-1-one.
What is the SMILES notation for 2-amino-1-[2-(5-propyl-1H-imidazol-2-yl)-3,4,6,7-tetrahydro-2H-quinolin-1-yl]propan-1-one?
The canonical SMILES for 2-amino-1-[2-(5-propyl-1H-imidazol-2-yl)-3,4,6,7-tetrahydro-2H-quinolin-1-yl]propan-1-one is CCCc1cnc(C2CCC3=CCCC=C3N2C(=O)C(C)N)[nH]1.
What is the InChIKey of 2-amino-1-[2-(5-propyl-1H-imidazol-2-yl)-3,4,6,7-tetrahydro-2H-quinolin-1-yl]propan-1-one?
The InChIKey is DXYFIGJCKJCPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-3-6-14-11-20-17(21-14)16-10-9-13-7-4-5-8-15(13)22(16)18(23)12(2)19/h7-8,11-12,16H,3-6,9-10,19H2,1-2H3,(H,20,21).
What are the key properties of 2-amino-1-[2-(5-propyl-1H-imidazol-2-yl)-3,4,6,7-tetrahydro-2H-quinolin-1-yl]propan-1-one?
2-amino-1-[2-(5-propyl-1H-imidazol-2-yl)-3,4,6,7-tetrahydro-2H-quinolin-1-yl]propan-1-one has a molecular weight of 314.43 g/mol, XLogP of 2.98, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[2-(5-propyl-1H-imidazol-2-yl)-3,4,6,7-tetrahydro-2H-quinolin-1-yl]propan-1-one is sourced from PubChem (CID 142138705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).