[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] morpholine-4-carboxylate

C27H31N5O4 — CID 10553050

IUPAC[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] morpholine-4-carboxylate
SMILESCc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)N4CCOCC4)ccc3n(C)c12
InChIInChI=1S/C27H31N5O4/c1-17-19-7-8-28-24(26(33)29-9-10-30(2)3)21(19)16-22-20-15-18(5-6-23(20)31(4)25(17)22)36-27(34)32-11-13-35-14-12-32/h5-8,15-16H,9-14H2,1-4H3,(H,29,33)
InChIKeyWIVLJNCAOGXRFG-UHFFFAOYSA-N
MW489.58 g/mol
LogP3.31
Rot. Bonds5

About [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] morpholine-4-carboxylate

[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] morpholine-4-carboxylate (PubChem CID 10553050) has the molecular formula C27H31N5O4 and a molecular weight of 489.58 g/mol. Its IUPAC name is [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] morpholine-4-carboxylate.

Molecular Properties

Compound Name[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] morpholine-4-carboxylate
PubChem CID10553050
Molecular FormulaC27H31N5O4
Molecular Weight489.58 g/mol
Exact Mass489.24
IUPAC Name[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] morpholine-4-carboxylate
SMILESCc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)N4CCOCC4)ccc3n(C)c12
InChIInChI=1S/C27H31N5O4/c1-17-19-7-8-28-24(26(33)29-9-10-30(2)3)21(19)16-22-20-15-18(5-6-23(20)31(4)25(17)22)36-27(34)32-11-13-35-14-12-32/h5-8,15-16H,9-14H2,1-4H3,(H,29,33)
InChIKeyWIVLJNCAOGXRFG-UHFFFAOYSA-N
XLogP3.31
TPSA88.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.58
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] morpholine-4-carboxylate with MolForge

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Related Compounds

S-16020
CID 177330
N-[2-(dimethylamino)ethyl]-9-hydroxy-5,6,10-trimethylpyrido[4,3-b]carbazole-1-carboxamide
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CID 122600573
1-N,3-N-dimethyl-4-[2-[[[(E)-3-[6-(methylcarbamoyl)-3-pyridinyl]prop-2-enoyl]amino]methyl]pyrrol-1-yl]-2-[(2-methylquinolin-8-yl)oxymethyl]benzene-1,3-dicarboxamide;dihydrochloride
CID 45266042
5-methoxy-N,N-bis(pyridin-2-ylmethyl)-1H-indole-2-carboxamide
CID 2809798
4-Ethyl-6-(naphthalen-1-ylmethoxy)-9H-beta-carboline-3-carboxylic acid ethyl ester
CID 10320152
Ethyl 4-(methoxymethyl)-9-methyl-6-(naphthalen-1-ylmethoxy)pyrido[3,4-b]indole-3-carboxylate
CID 11797989
5-[1-[2-(Dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl]oxy-5-oxopentanoic acid
CID 3038508
1-[(2-Dimethylaminoethyl)aminocarbonyl]-5,6-dimethyl-9-(5-carboxypentanoyloxy)-6H-pyrido[4,3-b]carbazole
CID 9827468
N-[2-(dimethylamino)ethyl]-9-methoxy-5-methyl-6H-pyrido[4,3-b]carbazole-1-carboxamide
CID 9999601
N-[2-(dimethylamino)ethyl]-6-ethyl-9-hydroxy-5-methylpyrido[4,3-b]carbazole-1-carboxamide
CID 10023296
N-(2-(Dimethylamino)ethyl)-9-hydroxy-5-methyl-6H-pyrido(4,3-b)carbazole-1-carboxamide
CID 10044194

Frequently Asked Questions

What is the IUPAC name of [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] morpholine-4-carboxylate?
The IUPAC name of [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] morpholine-4-carboxylate (CID 10553050) is [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] morpholine-4-carboxylate.
What is the SMILES notation for [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] morpholine-4-carboxylate?
The canonical SMILES for [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] morpholine-4-carboxylate is Cc1c2ccnc(C(=O)NCCN(C)C)c2cc2c3cc(OC(=O)N4CCOCC4)ccc3n(C)c12.
What is the InChIKey of [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] morpholine-4-carboxylate?
The InChIKey is WIVLJNCAOGXRFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31N5O4/c1-17-19-7-8-28-24(26(33)29-9-10-30(2)3)21(19)16-22-20-15-18(5-6-23(20)31(4)25(17)22)36-27(34)32-11-13-35-14-12-32/h5-8,15-16H,9-14H2,1-4H3,(H,29,33).
What are the key properties of [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] morpholine-4-carboxylate?
[1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] morpholine-4-carboxylate has a molecular weight of 489.58 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(dimethylamino)ethylcarbamoyl]-5,6-dimethylpyrido[4,3-b]carbazol-9-yl] morpholine-4-carboxylate is sourced from PubChem (CID 10553050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).