2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline

C14H21N3 — CID 175304172

IUPAC2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline
SMILESCN1CN(c2ccc3c(c2)NC(C)(C)CC3)C1
InChIInChI=1S/C14H21N3/c1-14(2)7-6-11-4-5-12(8-13(11)15-14)17-9-16(3)10-17/h4-5,8,15H,6-7,9-10H2,1-3H3
InChIKeyNGUCKVGRDUFOSE-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.49
Rot. Bonds1

About 2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline

2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline (PubChem CID 175304172) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline.

Molecular Properties

Compound Name2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline
PubChem CID175304172
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline
SMILESCN1CN(c2ccc3c(c2)NC(C)(C)CC3)C1
InChIInChI=1S/C14H21N3/c1-14(2)7-6-11-4-5-12(8-13(11)15-14)17-9-16(3)10-17/h4-5,8,15H,6-7,9-10H2,1-3H3
InChIKeyNGUCKVGRDUFOSE-UHFFFAOYSA-N
XLogP2.49
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Tetrahydroquinazoline
CID 5246559
3-[3-(Dimethylamino)propyl]-4-methyl-1,4-dihydroquinazolin-2-one
CID 44343662
1,2,3,4-Tetrahydroquinolin-7-amine
CID 15219619
1,2,3,4-Tetrahydroquinolin-5-amine
CID 20633072
1-Methyl-1,2,3,4-tetrahydroquinolin-7-amine
CID 11217421
3-Hexyl-6-methyl-1,4-dihydroquinazoline-2-thione
CID 46919422
3-Heptyl-6-methyl-1,4-dihydroquinazoline-2-thione
CID 46919423
6-Methyl-3-(3-methylbutyl)-1,4-dihydroquinazoline-2-thione
CID 49861996
6-Methyl-3-propan-2-yl-1,4-dihydroquinazoline-2-thione
CID 49862776
6-Methyl-3-(2-methylpropyl)-1,4-dihydroquinazoline-2-thione
CID 49862777
3,6-Acridinediamine, 9,10-dihydro-10-methyl-
CID 153945
7-Amino-1,2,3,4-tetrahydroquinazolin-2-one
CID 57415921

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline?
The IUPAC name of 2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline (CID 175304172) is 2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline.
What is the SMILES notation for 2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline?
The canonical SMILES for 2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline is CN1CN(c2ccc3c(c2)NC(C)(C)CC3)C1.
What is the InChIKey of 2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline?
The InChIKey is NGUCKVGRDUFOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-14(2)7-6-11-4-5-12(8-13(11)15-14)17-9-16(3)10-17/h4-5,8,15H,6-7,9-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline?
2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline has a molecular weight of 231.34 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-7-(3-methyl-1,3-diazetidin-1-yl)-3,4-dihydro-1H-quinoline is sourced from PubChem (CID 175304172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).