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

C14H16N4O — CID 82706431

IUPAC(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CCCc2c(N)cccc21
InChIInChI=1S/C14H16N4O/c1-9-11(8-16-17-9)14(19)18-7-3-4-10-12(15)5-2-6-13(10)18/h2,5-6,8H,3-4,7,15H2,1H3,(H,16,17)
InChIKeyCYZPEIIGPCUWMK-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.89
Rot. Bonds1

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

(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone (PubChem CID 82706431) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone.

Molecular Properties

Compound Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
PubChem CID82706431
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC Name(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
SMILESCc1[nH]ncc1C(=O)N1CCCc2c(N)cccc21
InChIInChI=1S/C14H16N4O/c1-9-11(8-16-17-9)14(19)18-7-3-4-10-12(15)5-2-6-13(10)18/h2,5-6,8H,3-4,7,15H2,1H3,(H,16,17)
InChIKeyCYZPEIIGPCUWMK-UHFFFAOYSA-N
XLogP1.89
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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)-(4-methylthiophen-3-yl)methanone
CID 82707193
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-propan-2-yl-1H-1,2,4-triazol-3-yl)methanone
CID 82744475
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-bromo-2-methylphenyl)methanone
CID 82711971
(5-hydroxy-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone
CID 114337443
(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-(methylamino)-2,3,4,5-tetrahydro-1-benzazepin-1-yl]-(5-methyl-1H-pyrazol-4-yl)methanone
CID 114335740
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,6-dichlorophenyl)methanone
CID 82744828
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(4-chloro-2-fluorophenyl)methanone
CID 82711974
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 82706528
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(furan-3-yl)methanone
CID 82704663
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-iodothiophen-3-yl)methanone
CID 82706052

Frequently Asked Questions

What is the IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone?
The IUPAC name of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone (CID 82706431) is (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone.
What is the SMILES notation for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone?
The canonical SMILES for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone is Cc1[nH]ncc1C(=O)N1CCCc2c(N)cccc21.
What is the InChIKey of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone?
The InChIKey is CYZPEIIGPCUWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-9-11(8-16-17-9)14(19)18-7-3-4-10-12(15)5-2-6-13(10)18/h2,5-6,8H,3-4,7,15H2,1H3,(H,16,17).
What are the key properties of (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone?
(5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone has a molecular weight of 256.31 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3,4-dihydro-2H-quinolin-1-yl)-(5-methyl-1H-pyrazol-4-yl)methanone is sourced from PubChem (CID 82706431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).