9-[4-[amino(hydroxy)methyl]-3-(2-methoxyethylamino)phenyl]-2,3-dihydro-1H-carbazol-4-one

C22H25N3O3 — CID 139394380

IUPAC9-[4-[amino(hydroxy)methyl]-3-(2-methoxyethylamino)phenyl]-2,3-dihydro-1H-carbazol-4-one
SMILESCOCCNc1cc(-n2c3c(c4ccccc42)C(=O)CCC3)ccc1C(N)O
InChIInChI=1S/C22H25N3O3/c1-28-12-11-24-17-13-14(9-10-15(17)22(23)27)25-18-6-3-2-5-16(18)21-19(25)7-4-8-20(21)26/h2-3,5-6,9-10,13,22,24,27H,4,7-8,11-12,23H2,1H3
InChIKeyCQRJRTPVTWGKBO-UHFFFAOYSA-N
MW379.46 g/mol
LogP3.16
Rot. Bonds6

About 9-[4-[amino(hydroxy)methyl]-3-(2-methoxyethylamino)phenyl]-2,3-dihydro-1H-carbazol-4-one

9-[4-[amino(hydroxy)methyl]-3-(2-methoxyethylamino)phenyl]-2,3-dihydro-1H-carbazol-4-one (PubChem CID 139394380) has the molecular formula C22H25N3O3 and a molecular weight of 379.46 g/mol. Its IUPAC name is 9-[4-[amino(hydroxy)methyl]-3-(2-methoxyethylamino)phenyl]-2,3-dihydro-1H-carbazol-4-one.

Molecular Properties

Compound Name9-[4-[amino(hydroxy)methyl]-3-(2-methoxyethylamino)phenyl]-2,3-dihydro-1H-carbazol-4-one
PubChem CID139394380
Molecular FormulaC22H25N3O3
Molecular Weight379.46 g/mol
Exact Mass379.19
IUPAC Name9-[4-[amino(hydroxy)methyl]-3-(2-methoxyethylamino)phenyl]-2,3-dihydro-1H-carbazol-4-one
SMILESCOCCNc1cc(-n2c3c(c4ccccc42)C(=O)CCC3)ccc1C(N)O
InChIInChI=1S/C22H25N3O3/c1-28-12-11-24-17-13-14(9-10-15(17)22(23)27)25-18-6-3-2-5-16(18)21-19(25)7-4-8-20(21)26/h2-3,5-6,9-10,13,22,24,27H,4,7-8,11-12,23H2,1H3
InChIKeyCQRJRTPVTWGKBO-UHFFFAOYSA-N
XLogP3.16
TPSA89.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 53.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

2-[(2-methoxyethyl)amino]-4-(4-oxo-1,2,3,4-tetrahydro-9H-carbazol-9-yl)benzamide
CID 24812721
5-[1-Hydroxy-2-(4-phenylbutan-2-ylamino)ethyl]-1-methylindole-7-carboxamide
CID 13621579
1-(9H-carbazol-9-yl)-3-((1-phenylethyl)amino)propan-2-ol benzoate
CID 16239833
2-(oxan-4-ylamino)-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide
CID 25167503
2-[(4-hydroxycyclohexyl)amino]-4-(4-oxo-2,3-dihydro-1H-carbazol-9-yl)benzamide
CID 44449429
4-(6-fluoro-4-oxo-2,3-dihydro-1H-carbazol-9-yl)-2-(2-methoxyethylamino)benzamide
CID 44449551
1-Carbazol-9-yl-3-[(tetrahydro-furan-2-ylmethyl)-amino]-propan-2-ol
CID 647528
1-[(4-Ethenylphenyl)methyl]-6-methyl-3-{[(2-phenylethyl)amino]methyl}-1H-indole-2-carboxylic acid
CID 16022741
1-[2-(4-Carboxy-phenylamino)-ethyl]-3-dodecanoyl-1H-indole-2-carboxylic acid
CID 44320172
Ethyl 1-[2-hydroxy-3-(2-methoxycarbonylanilino)propyl]indole-2-carboxylate
CID 499920
4-[3-(Anilinomethyl)indol-1-yl]benzoic acid
CID 177381259
1-[(2-Fluorophenyl)methyl]-3-{[(4-phenylbutan-2-YL)amino]methyl}-1H-indole-2-carboxylic acid
CID 53207174

Frequently Asked Questions

What is the IUPAC name of 9-[4-[amino(hydroxy)methyl]-3-(2-methoxyethylamino)phenyl]-2,3-dihydro-1H-carbazol-4-one?
The IUPAC name of 9-[4-[amino(hydroxy)methyl]-3-(2-methoxyethylamino)phenyl]-2,3-dihydro-1H-carbazol-4-one (CID 139394380) is 9-[4-[amino(hydroxy)methyl]-3-(2-methoxyethylamino)phenyl]-2,3-dihydro-1H-carbazol-4-one.
What is the SMILES notation for 9-[4-[amino(hydroxy)methyl]-3-(2-methoxyethylamino)phenyl]-2,3-dihydro-1H-carbazol-4-one?
The canonical SMILES for 9-[4-[amino(hydroxy)methyl]-3-(2-methoxyethylamino)phenyl]-2,3-dihydro-1H-carbazol-4-one is COCCNc1cc(-n2c3c(c4ccccc42)C(=O)CCC3)ccc1C(N)O.
What is the InChIKey of 9-[4-[amino(hydroxy)methyl]-3-(2-methoxyethylamino)phenyl]-2,3-dihydro-1H-carbazol-4-one?
The InChIKey is CQRJRTPVTWGKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3/c1-28-12-11-24-17-13-14(9-10-15(17)22(23)27)25-18-6-3-2-5-16(18)21-19(25)7-4-8-20(21)26/h2-3,5-6,9-10,13,22,24,27H,4,7-8,11-12,23H2,1H3.
What are the key properties of 9-[4-[amino(hydroxy)methyl]-3-(2-methoxyethylamino)phenyl]-2,3-dihydro-1H-carbazol-4-one?
9-[4-[amino(hydroxy)methyl]-3-(2-methoxyethylamino)phenyl]-2,3-dihydro-1H-carbazol-4-one has a molecular weight of 379.46 g/mol, XLogP of 3.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[4-[amino(hydroxy)methyl]-3-(2-methoxyethylamino)phenyl]-2,3-dihydro-1H-carbazol-4-one is sourced from PubChem (CID 139394380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).