(3,3-dimethyl-2,4-dihydroquinolin-1-yl)-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)methanone

C18H22N4O — CID 167834282

IUPAC(3,3-dimethyl-2,4-dihydroquinolin-1-yl)-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)methanone
SMILESCC1(C)Cc2ccccc2N(C(=O)C2CCCc3n[nH]nc32)C1
InChIInChI=1S/C18H22N4O/c1-18(2)10-12-6-3-4-9-15(12)22(11-18)17(23)13-7-5-8-14-16(13)20-21-19-14/h3-4,6,9,13H,5,7-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyARWXOUJDTWDFHV-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.84
Rot. Bonds1

About (3,3-dimethyl-2,4-dihydroquinolin-1-yl)-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)methanone

(3,3-dimethyl-2,4-dihydroquinolin-1-yl)-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)methanone (PubChem CID 167834282) has the molecular formula C18H22N4O and a molecular weight of 310.40 g/mol. Its IUPAC name is (3,3-dimethyl-2,4-dihydroquinolin-1-yl)-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)methanone.

Molecular Properties

Compound Name(3,3-dimethyl-2,4-dihydroquinolin-1-yl)-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)methanone
PubChem CID167834282
Molecular FormulaC18H22N4O
Molecular Weight310.40 g/mol
Exact Mass310.18
IUPAC Name(3,3-dimethyl-2,4-dihydroquinolin-1-yl)-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)methanone
SMILESCC1(C)Cc2ccccc2N(C(=O)C2CCCc3n[nH]nc32)C1
InChIInChI=1S/C18H22N4O/c1-18(2)10-12-6-3-4-9-15(12)22(11-18)17(23)13-7-5-8-14-16(13)20-21-19-14/h3-4,6,9,13H,5,7-8,10-11H2,1-2H3,(H,19,20,21)
InChIKeyARWXOUJDTWDFHV-UHFFFAOYSA-N
XLogP2.84
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-dimethyl-2,4-dihydroquinolin-1-yl)-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)methanone?
The IUPAC name of (3,3-dimethyl-2,4-dihydroquinolin-1-yl)-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)methanone (CID 167834282) is (3,3-dimethyl-2,4-dihydroquinolin-1-yl)-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)methanone.
What is the SMILES notation for (3,3-dimethyl-2,4-dihydroquinolin-1-yl)-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)methanone?
The canonical SMILES for (3,3-dimethyl-2,4-dihydroquinolin-1-yl)-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)methanone is CC1(C)Cc2ccccc2N(C(=O)C2CCCc3n[nH]nc32)C1.
What is the InChIKey of (3,3-dimethyl-2,4-dihydroquinolin-1-yl)-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)methanone?
The InChIKey is ARWXOUJDTWDFHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O/c1-18(2)10-12-6-3-4-9-15(12)22(11-18)17(23)13-7-5-8-14-16(13)20-21-19-14/h3-4,6,9,13H,5,7-8,10-11H2,1-2H3,(H,19,20,21).
What are the key properties of (3,3-dimethyl-2,4-dihydroquinolin-1-yl)-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)methanone?
(3,3-dimethyl-2,4-dihydroquinolin-1-yl)-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)methanone has a molecular weight of 310.40 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-dimethyl-2,4-dihydroquinolin-1-yl)-(4,5,6,7-tetrahydro-2H-benzotriazol-4-yl)methanone is sourced from PubChem (CID 167834282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).