8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one

C24H29ClN4O2 — CID 162648090

IUPAC8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one
SMILESCOc1ccc2c(c1)c1c(c(=O)n2CCN(C)C)c2cc(Cl)ccc2n1CCN(C)C
InChIInChI=1S/C24H29ClN4O2/c1-26(2)10-12-28-20-8-6-16(25)14-18(20)22-23(28)19-15-17(31-5)7-9-21(19)29(24(22)30)13-11-27(3)4/h6-9,14-15H,10-13H2,1-5H3
InChIKeyOHROAEQAFDAKHB-UHFFFAOYSA-N
MW440.98 g/mol
LogP3.89
Rot. Bonds7

About 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one

8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one (PubChem CID 162648090) has the molecular formula C24H29ClN4O2 and a molecular weight of 440.98 g/mol. Its IUPAC name is 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one.

Molecular Properties

Compound Name8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one
PubChem CID162648090
Molecular FormulaC24H29ClN4O2
Molecular Weight440.98 g/mol
Exact Mass440.20
IUPAC Name8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one
SMILESCOc1ccc2c(c1)c1c(c(=O)n2CCN(C)C)c2cc(Cl)ccc2n1CCN(C)C
InChIInChI=1S/C24H29ClN4O2/c1-26(2)10-12-28-20-8-6-16(25)14-18(20)22-23(28)19-15-17(31-5)7-9-21(19)29(24(22)30)13-11-27(3)4/h6-9,14-15H,10-13H2,1-5H3
InChIKeyOHROAEQAFDAKHB-UHFFFAOYSA-N
XLogP3.89
TPSA42.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

11,19-bis[2-(dimethylamino)ethyl]-15,16-dimethoxy-5,7-dioxa-11,19-diazapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13,15,17-heptaen-20-one
CID 162672551
9-[2-(dimethylamino)ethyl]-6-methoxy-3,4-dihydro-2H-carbazol-1-one;hydrochloride
CID 138398345
23-[3-(dimethylamino)propyl]-7-methoxy-3-methyl-3,13,23-triazahexacyclo[14.7.0.02,10.04,9.011,15.017,22]tricosa-1,4(9),5,7,10,15,17,19,21-nonaene-12,14-dione
CID 21216882
2-[2-(dimethylamino)ethyl]-9-methoxy-6-methylpyrrolo[3,4-c]carbazole-1,3-dione;hydrochloride
CID 19808807
9-chloro-5-[2-(dimethylamino)ethyl]-2,3-dimethoxyindeno[1,2-c]quinoline-6,11-dione
CID 54673288
3-[3-(dimethylamino)propyl]-8-methoxy-1,5-dimethylpyridazino[4,5-b]indol-4-one
CID 4906216
15-[2-(dimethylamino)ethyl]-10-[2-[2-[[15-[2-(dimethylamino)ethyl]-5-methoxy-8,14,16-trioxo-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaen-10-yl]amino]ethyl-methylamino]ethylamino]-5-methoxy-1,15-diazatetracyclo[7.7.1.02,7.013,17]heptadeca-2(7),3,5,9,11,13(17)-hexaene-8,14,16-trione
CID 11251457
methyl 5-chloro-1-[2-(dimethylamino)ethyl]-3-ethoxyindole-2-carboxylate;hydrochloride
CID 3060291
10-[2-(dimethylamino)ethyl]-1,4-dimethoxyacridin-9-one
CID 3025757
2-(4-chloro-6-methoxypyrimido[4,5-b]indol-9-yl)-N,N-diethylethanamine
CID 10496846
1-[3-(dimethylamino)propyl]-5-methoxy-2-methylindole-3-carbaldehyde
CID 58004720
3-(3-chlorophenyl)-8-methoxy-1-[(4-methoxyphenyl)methyl]-5-methylpyrimido[5,4-b]indole-2,4-dione
CID 20914586

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one?
The IUPAC name of 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one (CID 162648090) is 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one.
What is the SMILES notation for 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one?
The canonical SMILES for 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one is COc1ccc2c(c1)c1c(c(=O)n2CCN(C)C)c2cc(Cl)ccc2n1CCN(C)C.
What is the InChIKey of 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one?
The InChIKey is OHROAEQAFDAKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29ClN4O2/c1-26(2)10-12-28-20-8-6-16(25)14-18(20)22-23(28)19-15-17(31-5)7-9-21(19)29(24(22)30)13-11-27(3)4/h6-9,14-15H,10-13H2,1-5H3.
What are the key properties of 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one?
8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one has a molecular weight of 440.98 g/mol, XLogP of 3.89, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5,11-bis[2-(dimethylamino)ethyl]-2-methoxyindolo[3,2-c]quinolin-6-one is sourced from PubChem (CID 162648090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).