(4-chlorophenyl)-[8-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]methanone;hydrochloride

C24H26Cl2N4O — CID 44534430

IUPAC(4-chlorophenyl)-[8-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]methanone;hydrochloride
SMILESCN1CCCN(c2ccnc3cc4c(cc23)N(C(=O)c2ccc(Cl)cc2)CC4)CC1.Cl
InChIInChI=1S/C24H25ClN4O.ClH/c1-27-10-2-11-28(14-13-27)22-7-9-26-21-15-18-8-12-29(23(18)16-20(21)22)24(30)17-3-5-19(25)6-4-17;/h3-7,9,15-16H,2,8,10-14H2,1H3;1H
InChIKeyAKNKCEYJILGYIL-UHFFFAOYSA-N
MW457.41 g/mol
LogP4.65
Rot. Bonds2

About (4-chlorophenyl)-[8-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]methanone;hydrochloride

(4-chlorophenyl)-[8-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]methanone;hydrochloride (PubChem CID 44534430) has the molecular formula C24H26Cl2N4O and a molecular weight of 457.41 g/mol. Its IUPAC name is (4-chlorophenyl)-[8-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Name(4-chlorophenyl)-[8-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]methanone;hydrochloride
PubChem CID44534430
Molecular FormulaC24H26Cl2N4O
Molecular Weight457.41 g/mol
Exact Mass456.15
IUPAC Name(4-chlorophenyl)-[8-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]methanone;hydrochloride
SMILESCN1CCCN(c2ccnc3cc4c(cc23)N(C(=O)c2ccc(Cl)cc2)CC4)CC1.Cl
InChIInChI=1S/C24H25ClN4O.ClH/c1-27-10-2-11-28(14-13-27)22-7-9-26-21-15-18-8-12-29(23(18)16-20(21)22)24(30)17-3-5-19(25)6-4-17;/h3-7,9,15-16H,2,8,10-14H2,1H3;1H
InChIKeyAKNKCEYJILGYIL-UHFFFAOYSA-N
XLogP4.65
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.41
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[8-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]methanone;hydrochloride?
The IUPAC name of (4-chlorophenyl)-[8-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]methanone;hydrochloride (CID 44534430) is (4-chlorophenyl)-[8-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]methanone;hydrochloride.
What is the SMILES notation for (4-chlorophenyl)-[8-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]methanone;hydrochloride?
The canonical SMILES for (4-chlorophenyl)-[8-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]methanone;hydrochloride is CN1CCCN(c2ccnc3cc4c(cc23)N(C(=O)c2ccc(Cl)cc2)CC4)CC1.Cl.
What is the InChIKey of (4-chlorophenyl)-[8-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]methanone;hydrochloride?
The InChIKey is AKNKCEYJILGYIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O.ClH/c1-27-10-2-11-28(14-13-27)22-7-9-26-21-15-18-8-12-29(23(18)16-20(21)22)24(30)17-3-5-19(25)6-4-17;/h3-7,9,15-16H,2,8,10-14H2,1H3;1H.
What are the key properties of (4-chlorophenyl)-[8-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]methanone;hydrochloride?
(4-chlorophenyl)-[8-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]methanone;hydrochloride has a molecular weight of 457.41 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[8-(4-methyl-1,4-diazepan-1-yl)-2,3-dihydropyrrolo[2,3-g]quinolin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 44534430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).