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

C15H19N5O — CID 82744475

IUPAC(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CCCc3c(N)cccc32)n[nH]1
InChIInChI=1S/C15H19N5O/c1-9(2)13-17-14(19-18-13)15(21)20-8-4-5-10-11(16)6-3-7-12(10)20/h3,6-7,9H,4-5,8,16H2,1-2H3,(H,17,18,19)
InChIKeyVCDZABCQLZVZJC-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.10
Rot. Bonds2

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

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone (PubChem CID 82744475) has the molecular formula C15H19N5O and a molecular weight of 285.35 g/mol. Its IUPAC name is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
PubChem CID82744475
Molecular FormulaC15H19N5O
Molecular Weight285.35 g/mol
Exact Mass285.16
IUPAC Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
SMILESCC(C)c1nc(C(=O)N2CCCc3c(N)cccc32)n[nH]1
InChIInChI=1S/C15H19N5O/c1-9(2)13-17-14(19-18-13)15(21)20-8-4-5-10-11(16)6-3-7-12(10)20/h3,6-7,9H,4-5,8,16H2,1-2H3,(H,17,18,19)
InChIKeyVCDZABCQLZVZJC-UHFFFAOYSA-N
XLogP2.10
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 82706431
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dichlorophenyl)methanone
CID 82744828
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methylpentan-1-one
CID 82705400
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-methylthiophen-3-yl)methanone
CID 82707193
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-ethylfuran-2-yl)methanone
CID 82706143
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
CID 82704663
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)-2-methoxypropan-1-one
CID 112706569
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2-iodophenyl)methanone
CID 82705307
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 82706050
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-piperidin-1-ylmethanone
CID 82761808
1-(5-amino-3,4-dihydro-2H-quinolin-1-yl)hexa-2,4-dien-1-one
CID 113341665
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 82711971

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
The IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone (CID 82744475) is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone is CC(C)c1nc(C(=O)N2CCCc3c(N)cccc32)n[nH]1.
What is the InChIKey of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
The InChIKey is VCDZABCQLZVZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O/c1-9(2)13-17-14(19-18-13)15(21)20-8-4-5-10-11(16)6-3-7-12(10)20/h3,6-7,9H,4-5,8,16H2,1-2H3,(H,17,18,19).
What are the key properties of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone?
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone has a molecular weight of 285.35 g/mol, XLogP of 2.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 82744475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).