N,N-dimethyl-2-[4-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenoxy]ethanamine;hydrochloride

C28H30ClN3O2 — CID 68945388

IUPACN,N-dimethyl-2-[4-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenoxy]ethanamine;hydrochloride
SMILESCc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2c1ccc(OCCN(C)C)cc1.Cl
InChIInChI=1S/C28H29N3O2.ClH/c1-20-25-15-16-31(21-9-11-22(12-10-21)32-18-17-30(2)3)28(25)26-19-24(13-14-27(26)29-20)33-23-7-5-4-6-8-23;/h4-14,19H,15-18H2,1-3H3;1H
InChIKeyQAQHITUILQZBDO-UHFFFAOYSA-N
MW476.02 g/mol
LogP6.39
Rot. Bonds7

About N,N-dimethyl-2-[4-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenoxy]ethanamine;hydrochloride

N,N-dimethyl-2-[4-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenoxy]ethanamine;hydrochloride (PubChem CID 68945388) has the molecular formula C28H30ClN3O2 and a molecular weight of 476.02 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenoxy]ethanamine;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenoxy]ethanamine;hydrochloride
PubChem CID68945388
Molecular FormulaC28H30ClN3O2
Molecular Weight476.02 g/mol
Exact Mass475.20
IUPAC NameN,N-dimethyl-2-[4-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenoxy]ethanamine;hydrochloride
SMILESCc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2c1ccc(OCCN(C)C)cc1.Cl
InChIInChI=1S/C28H29N3O2.ClH/c1-20-25-15-16-31(21-9-11-22(12-10-21)32-18-17-30(2)3)28(25)26-19-24(13-14-27(26)29-20)33-23-7-5-4-6-8-23;/h4-14,19H,15-18H2,1-3H3;1H
InChIKeyQAQHITUILQZBDO-UHFFFAOYSA-N
XLogP6.39
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.02
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenoxy]ethanamine;hydrochloride?
The IUPAC name of N,N-dimethyl-2-[4-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenoxy]ethanamine;hydrochloride (CID 68945388) is N,N-dimethyl-2-[4-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenoxy]ethanamine;hydrochloride.
What is the SMILES notation for N,N-dimethyl-2-[4-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenoxy]ethanamine;hydrochloride?
The canonical SMILES for N,N-dimethyl-2-[4-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenoxy]ethanamine;hydrochloride is Cc1nc2ccc(Oc3ccccc3)cc2c2c1CCN2c1ccc(OCCN(C)C)cc1.Cl.
What is the InChIKey of N,N-dimethyl-2-[4-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenoxy]ethanamine;hydrochloride?
The InChIKey is QAQHITUILQZBDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2.ClH/c1-20-25-15-16-31(21-9-11-22(12-10-21)32-18-17-30(2)3)28(25)26-19-24(13-14-27(26)29-20)33-23-7-5-4-6-8-23;/h4-14,19H,15-18H2,1-3H3;1H.
What are the key properties of N,N-dimethyl-2-[4-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenoxy]ethanamine;hydrochloride?
N,N-dimethyl-2-[4-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenoxy]ethanamine;hydrochloride has a molecular weight of 476.02 g/mol, XLogP of 6.39, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-(4-methyl-8-phenoxy-2,3-dihydropyrrolo[3,2-c]quinolin-1-yl)phenoxy]ethanamine;hydrochloride is sourced from PubChem (CID 68945388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).