2-amino-N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]acetamide

C22H25N5O — CID 127035798

IUPAC2-amino-N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]acetamide
SMILESCc1c2ccccc2nc2c1c1cc(NC(=O)CN)ccc1n2CCN(C)C
InChIInChI=1S/C22H25N5O/c1-14-16-6-4-5-7-18(16)25-22-21(14)17-12-15(24-20(28)13-23)8-9-19(17)27(22)11-10-26(2)3/h4-9,12H,10-11,13,23H2,1-3H3,(H,24,28)
InChIKeyRJEQJSXPZFCONF-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.11
Rot. Bonds5

About 2-amino-N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]acetamide

2-amino-N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]acetamide (PubChem CID 127035798) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is 2-amino-N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]acetamide.

Molecular Properties

Compound Name2-amino-N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]acetamide
PubChem CID127035798
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name2-amino-N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]acetamide
SMILESCc1c2ccccc2nc2c1c1cc(NC(=O)CN)ccc1n2CCN(C)C
InChIInChI=1S/C22H25N5O/c1-14-16-6-4-5-7-18(16)25-22-21(14)17-12-15(24-20(28)13-23)8-9-19(17)27(22)11-10-26(2)3/h4-9,12H,10-11,13,23H2,1-3H3,(H,24,28)
InChIKeyRJEQJSXPZFCONF-UHFFFAOYSA-N
XLogP3.11
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]-N',N'-dimethylethane-1,2-diamine;oxalic acid;hydrate
CID 70687025
(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-[carbamoyl(methyl)amino]-N-(9-ethylcarbazol-3-yl)acetamide
CID 9400428
4-(3-indolo[3,2-b]quinoxalin-6-ylpropanoylamino)benzamide
CID 108794842
2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(3,5-dimethylphenyl)acetamide
CID 7582860
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-indolo[3,2-b]quinoxalin-6-ylpropanamide
CID 108806354
N-[2-[[1-[2-(dimethylamino)ethyl]indol-5-yl]amino]-2-oxoethyl]-2-phenylacetamide
CID 49499136
N-[4-[(2-aminoacetyl)amino]phenyl]-3-(dimethylamino)propanamide;dihydrochloride
CID 119868276
2-[benzenesulfonyl(ethyl)amino]-N-(9-ethylcarbazol-3-yl)acetamide
CID 45372945
3-amino-N-(9-ethylcarbazol-3-yl)-3-methylbutanamide
CID 167911197
2-[3-[3-(dimethylamino)propyl]-4-oxoquinazolin-2-yl]sulfanyl-N-(4-ethylphenyl)acetamide
CID 7582874

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]acetamide?
The IUPAC name of 2-amino-N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]acetamide (CID 127035798) is 2-amino-N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]acetamide.
What is the SMILES notation for 2-amino-N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]acetamide?
The canonical SMILES for 2-amino-N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]acetamide is Cc1c2ccccc2nc2c1c1cc(NC(=O)CN)ccc1n2CCN(C)C.
What is the InChIKey of 2-amino-N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]acetamide?
The InChIKey is RJEQJSXPZFCONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-14-16-6-4-5-7-18(16)25-22-21(14)17-12-15(24-20(28)13-23)8-9-19(17)27(22)11-10-26(2)3/h4-9,12H,10-11,13,23H2,1-3H3,(H,24,28).
What are the key properties of 2-amino-N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]acetamide?
2-amino-N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]acetamide has a molecular weight of 375.48 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[6-[2-(dimethylamino)ethyl]-11-methylindolo[2,3-b]quinolin-9-yl]acetamide is sourced from PubChem (CID 127035798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).