N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]-N',N'-dimethylethane-1,2-diamine;oxalic acid;hydrate

C26H35N5O5 — CID 70687025

IUPACN-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]-N',N'-dimethylethane-1,2-diamine;oxalic acid;hydrate
SMILESCc1c2ccccc2nc2c1c1cc(NCCN(C)C)ccc1n2CCN(C)C.O.O=C(O)C(=O)O
InChIInChI=1S/C24H31N5.C2H2O4.H2O/c1-17-19-8-6-7-9-21(19)26-24-23(17)20-16-18(25-12-13-27(2)3)10-11-22(20)29(24)15-14-28(4)5;3-1(4)2(5)6;/h6-11,16,25H,12-15H2,1-5H3;(H,3,4)(H,5,6);1H2
InChIKeyNILPWGSTLMPWJI-UHFFFAOYSA-N
MW497.60 g/mol
LogP2.52
Rot. Bonds7

About N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]-N',N'-dimethylethane-1,2-diamine;oxalic acid;hydrate

N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]-N',N'-dimethylethane-1,2-diamine;oxalic acid;hydrate (PubChem CID 70687025) has the molecular formula C26H35N5O5 and a molecular weight of 497.60 g/mol. Its IUPAC name is N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]-N',N'-dimethylethane-1,2-diamine;oxalic acid;hydrate.

Molecular Properties

Compound NameN-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]-N',N'-dimethylethane-1,2-diamine;oxalic acid;hydrate
PubChem CID70687025
Molecular FormulaC26H35N5O5
Molecular Weight497.60 g/mol
Exact Mass497.26
IUPAC NameN-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]-N',N'-dimethylethane-1,2-diamine;oxalic acid;hydrate
SMILESCc1c2ccccc2nc2c1c1cc(NCCN(C)C)ccc1n2CCN(C)C.O.O=C(O)C(=O)O
InChIInChI=1S/C24H31N5.C2H2O4.H2O/c1-17-19-8-6-7-9-21(19)26-24-23(17)20-16-18(25-12-13-27(2)3)10-11-22(20)29(24)15-14-28(4)5;3-1(4)2(5)6;/h6-11,16,25H,12-15H2,1-5H3;(H,3,4)(H,5,6);1H2
InChIKeyNILPWGSTLMPWJI-UHFFFAOYSA-N
XLogP2.52
TPSA142.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.60
LogP ≤ 52.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-amino-N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]acetamide
CID 127035798
(2S)-1-carbamimidoyl-N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]pyrrolidine-2-carboxamide
CID 127035801
2-amino-N-(6,11-dimethylindolo[2,3-b]quinolin-2-yl)acetamide
CID 25147213
2-[2-(dimethylamino)ethylamino]-9-ethylpyrido[2,3-b]indole-3-carboxamide
CID 143530183
N',N'-dimethyl-N-[3-[(2-methylquinolin-4-yl)methyl]phenyl]ethane-1,2-diamine
CID 59644278
N',N'-dimethyl-N-naphthalen-2-ylethane-1,2-diamine
CID 43401306
N-(1,3-dimethylpyrazolo[3,4-b]quinolin-4-yl)-N',N'-dimethylbutane-1,4-diamine;hydrochloride
CID 90678432
N',N'-dimethyl-N-(4-propan-2-ylquinolin-2-yl)ethane-1,2-diamine
CID 90395677
N-(3-benzyl-[1,2,4]triazolo[4,3-c]quinazolin-5-yl)-N',N'-dimethylethane-1,2-diamine
CID 46063488
2-[3-(dimethylamino)propylamino]benzimidazolo[1,2-a]quinoline-6-carbonitrile
CID 90667022
N,N-diethyl-2-(9-methylindolo[3,2-b]quinoxalin-6-yl)ethanamine
CID 2966419
(Z)-but-2-enedioic acid;N',N'-dimethyl-N-[4-(1-methylpyrazolo[5,4-b]pyridin-3-yl)phenyl]ethane-1,2-diamine
CID 14796339

Frequently Asked Questions

What is the IUPAC name of N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]-N',N'-dimethylethane-1,2-diamine;oxalic acid;hydrate?
The IUPAC name of N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]-N',N'-dimethylethane-1,2-diamine;oxalic acid;hydrate (CID 70687025) is N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]-N',N'-dimethylethane-1,2-diamine;oxalic acid;hydrate.
What is the SMILES notation for N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]-N',N'-dimethylethane-1,2-diamine;oxalic acid;hydrate?
The canonical SMILES for N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]-N',N'-dimethylethane-1,2-diamine;oxalic acid;hydrate is Cc1c2ccccc2nc2c1c1cc(NCCN(C)C)ccc1n2CCN(C)C.O.O=C(O)C(=O)O.
What is the InChIKey of N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]-N',N'-dimethylethane-1,2-diamine;oxalic acid;hydrate?
The InChIKey is NILPWGSTLMPWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5.C2H2O4.H2O/c1-17-19-8-6-7-9-21(19)26-24-23(17)20-16-18(25-12-13-27(2)3)10-11-22(20)29(24)15-14-28(4)5;3-1(4)2(5)6;/h6-11,16,25H,12-15H2,1-5H3;(H,3,4)(H,5,6);1H2.
What are the key properties of N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]-N',N'-dimethylethane-1,2-diamine;oxalic acid;hydrate?
N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]-N',N'-dimethylethane-1,2-diamine;oxalic acid;hydrate has a molecular weight of 497.60 g/mol, XLogP of 2.52, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]-N',N'-dimethylethane-1,2-diamine;oxalic acid;hydrate is sourced from PubChem (CID 70687025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).