N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylquinolin-4-amine;hydrochloride

C18H17ClN2O2 — CID 2789787

IUPACN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylquinolin-4-amine;hydrochloride
SMILESCc1cc(Nc2ccc3c(c2)OCCO3)c2ccccc2n1.Cl
InChIInChI=1S/C18H16N2O2.ClH/c1-12-10-16(14-4-2-3-5-15(14)19-12)20-13-6-7-17-18(11-13)22-9-8-21-17;/h2-7,10-11H,8-9H2,1H3,(H,19,20);1H
InChIKeySDEQNRYSXRHNPQ-UHFFFAOYSA-N
MW328.80 g/mol
LogP4.48
Rot. Bonds2

About N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylquinolin-4-amine;hydrochloride

N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylquinolin-4-amine;hydrochloride (PubChem CID 2789787) has the molecular formula C18H17ClN2O2 and a molecular weight of 328.80 g/mol. Its IUPAC name is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylquinolin-4-amine;hydrochloride.

Molecular Properties

Compound NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylquinolin-4-amine;hydrochloride
PubChem CID2789787
Molecular FormulaC18H17ClN2O2
Molecular Weight328.80 g/mol
Exact Mass328.10
IUPAC NameN-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylquinolin-4-amine;hydrochloride
SMILESCc1cc(Nc2ccc3c(c2)OCCO3)c2ccccc2n1.Cl
InChIInChI=1S/C18H16N2O2.ClH/c1-12-10-16(14-4-2-3-5-15(14)19-12)20-13-6-7-17-18(11-13)22-9-8-21-17;/h2-7,10-11H,8-9H2,1H3,(H,19,20);1H
InChIKeySDEQNRYSXRHNPQ-UHFFFAOYSA-N
XLogP4.48
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Methoxy-1,2,3,4-tetrahydroacridin-9-amine
CID 3075610
9-Acridinamine, 1,2,3,4-tetrahydro-N-heptyl-6-methoxy-
CID 3075611
Acridine, 9-(p-anisidino)-
CID 43640
Acridine, 1,2,3,4-tetrahydro-9-(2-(3,4-dimethoxyphenyl)ethyl)amino-
CID 22023
1-Acridinol, 1,2,3,4-tetrahydro-9-((3-phenoxypropyl)amino)-
CID 3025629
3-((6-Methoxy-2-methylquinolin-4-yl)amino)phenol hydrochloride
CID 2790585
4-[(3,4-Dimethoxyphenyl)amino]-6,7-dimethoxyquinoline-3-carbonitrile
CID 5328843
N-(4-chloro-2-fluorophenyl)-6-methoxy-7-(2-methoxyethoxy)quinolin-4-amine
CID 5329017
4-Phenylamino-3-quinolinecarbonitrile 21
CID 5330090
4-Phenylamino-3-quinolinecarbonitrile 22
CID 5330091
N-(3-Ethynylphenyl)-6,7-dimethoxyquinolin-4-amine
CID 25000333
2-cyclohexyl-6-methoxy-N-(1-propan-2-ylpiperidin-4-yl)-7-(3-pyrrolidin-1-ylpropoxy)quinolin-4-amine
CID 118607414

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylquinolin-4-amine;hydrochloride?
The IUPAC name of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylquinolin-4-amine;hydrochloride (CID 2789787) is N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylquinolin-4-amine;hydrochloride.
What is the SMILES notation for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylquinolin-4-amine;hydrochloride?
The canonical SMILES for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylquinolin-4-amine;hydrochloride is Cc1cc(Nc2ccc3c(c2)OCCO3)c2ccccc2n1.Cl.
What is the InChIKey of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylquinolin-4-amine;hydrochloride?
The InChIKey is SDEQNRYSXRHNPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O2.ClH/c1-12-10-16(14-4-2-3-5-15(14)19-12)20-13-6-7-17-18(11-13)22-9-8-21-17;/h2-7,10-11H,8-9H2,1H3,(H,19,20);1H.
What are the key properties of N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylquinolin-4-amine;hydrochloride?
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylquinolin-4-amine;hydrochloride has a molecular weight of 328.80 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylquinolin-4-amine;hydrochloride is sourced from PubChem (CID 2789787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).