(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine

C15H20N4 — CID 155906225

IUPAC(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine
SMILESCc1cn(C)nc1CN1C[C@@H](N)Cc2ccccc21
InChIInChI=1S/C15H20N4/c1-11-8-18(2)17-14(11)10-19-9-13(16)7-12-5-3-4-6-15(12)19/h3-6,8,13H,7,9-10,16H2,1-2H3/t13-/m0/s1
InChIKeyUXDQKIHCJLFRMZ-ZDUSSCGKSA-N
MW256.35 g/mol
LogP1.62
Rot. Bonds2

About (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine

(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (PubChem CID 155906225) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine
PubChem CID155906225
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine
SMILESCc1cn(C)nc1CN1C[C@@H](N)Cc2ccccc21
InChIInChI=1S/C15H20N4/c1-11-8-18(2)17-14(11)10-19-9-13(16)7-12-5-3-4-6-15(12)19/h3-6,8,13H,7,9-10,16H2,1-2H3/t13-/m0/s1
InChIKeyUXDQKIHCJLFRMZ-ZDUSSCGKSA-N
XLogP1.62
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine?
The IUPAC name of (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine (CID 155906225) is (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine.
What is the SMILES notation for (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine?
The canonical SMILES for (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine is Cc1cn(C)nc1CN1C[C@@H](N)Cc2ccccc21.
What is the InChIKey of (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine?
The InChIKey is UXDQKIHCJLFRMZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H20N4/c1-11-8-18(2)17-14(11)10-19-9-13(16)7-12-5-3-4-6-15(12)19/h3-6,8,13H,7,9-10,16H2,1-2H3/t13-/m0/s1.
What are the key properties of (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine?
(3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine has a molecular weight of 256.35 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(1,4-dimethylpyrazol-3-yl)methyl]-3,4-dihydro-2H-quinolin-3-amine is sourced from PubChem (CID 155906225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).