1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;hydrochloride

C18H18ClN3 — CID 2838127

IUPAC1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;hydrochloride
SMILESCc1cccc(N2CCc3c2nc2ccccc2c3N)c1.Cl
InChIInChI=1S/C18H17N3.ClH/c1-12-5-4-6-13(11-12)21-10-9-15-17(19)14-7-2-3-8-16(14)20-18(15)21;/h2-8,11H,9-10H2,1H3,(H2,19,20);1H
InChIKeyVZMLTQMPRKQJAA-UHFFFAOYSA-N
MW311.82 g/mol
LogP4.24
Rot. Bonds1

About 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;hydrochloride

1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;hydrochloride (PubChem CID 2838127) has the molecular formula C18H18ClN3 and a molecular weight of 311.82 g/mol. Its IUPAC name is 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;hydrochloride
PubChem CID2838127
Molecular FormulaC18H18ClN3
Molecular Weight311.82 g/mol
Exact Mass311.12
IUPAC Name1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;hydrochloride
SMILESCc1cccc(N2CCc3c2nc2ccccc2c3N)c1.Cl
InChIInChI=1S/C18H17N3.ClH/c1-12-5-4-6-13(11-12)21-10-9-15-17(19)14-7-2-3-8-16(14)20-18(15)21;/h2-8,11H,9-10H2,1H3,(H2,19,20);1H
InChIKeyVZMLTQMPRKQJAA-UHFFFAOYSA-N
XLogP4.24
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.82
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Imiquimod
CID 57469
4-Methyl-2-piperazin-1-yl-quinoline
CID 598754
N-Benzyl-2-phenyl-4-quinazolinamine
CID 780643
N2,N4-Dibenzylquinazoline-2,4-diamine
CID 676352
1954U89
CID 177894
4-Methyl-2-(1-piperidinyl)quinoline
CID 230710
N-Methylquipazine
CID 5013
NSC 23766 trihydrochloride
CID 16759159
Importazole
CID 2949965
N6-[2-[5-(diethylamino)pentan-2-ylamino]-6-methyl-4-pyrimidinyl]-2-methylquinoline-4,6-diamine
CID 409805
Neocryptolepine
CID 390526
1-[[4-(Aminomethyl)phenyl]methyl]-2-Butyl-Imidazo[4,5-C]quinolin-4-Amine
CID 52945312

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;hydrochloride?
The IUPAC name of 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;hydrochloride (CID 2838127) is 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;hydrochloride.
What is the SMILES notation for 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;hydrochloride?
The canonical SMILES for 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;hydrochloride is Cc1cccc(N2CCc3c2nc2ccccc2c3N)c1.Cl.
What is the InChIKey of 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;hydrochloride?
The InChIKey is VZMLTQMPRKQJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3.ClH/c1-12-5-4-6-13(11-12)21-10-9-15-17(19)14-7-2-3-8-16(14)20-18(15)21;/h2-8,11H,9-10H2,1H3,(H2,19,20);1H.
What are the key properties of 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;hydrochloride?
1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;hydrochloride has a molecular weight of 311.82 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-2,3-dihydropyrrolo[2,3-b]quinolin-4-amine;hydrochloride is sourced from PubChem (CID 2838127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).