9-[(cyclobutylamino)methyl]-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid;hydrochloride

C22H24ClN3O4 — CID 118865373

IUPAC9-[(cyclobutylamino)methyl]-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid;hydrochloride
SMILESCl.Cn1c(CNC2CCC2)cc2cc3c(cc21)CCc1c-3[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C22H23N3O4.ClH/c1-25-14(10-23-13-3-2-4-13)7-12-8-16-11(9-17(12)25)5-6-15-19(16)24-21(27)18(20(15)26)22(28)29;/h7-9,13,23H,2-6,10H2,1H3,(H,28,29)(H2,24,26,27);1H
InChIKeyQNMNEFMKFMCLHP-UHFFFAOYSA-N
MW429.90 g/mol
LogP3.10
Rot. Bonds4

About 9-[(cyclobutylamino)methyl]-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid;hydrochloride

9-[(cyclobutylamino)methyl]-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid;hydrochloride (PubChem CID 118865373) has the molecular formula C22H24ClN3O4 and a molecular weight of 429.90 g/mol. Its IUPAC name is 9-[(cyclobutylamino)methyl]-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name9-[(cyclobutylamino)methyl]-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid;hydrochloride
PubChem CID118865373
Molecular FormulaC22H24ClN3O4
Molecular Weight429.90 g/mol
Exact Mass429.15
IUPAC Name9-[(cyclobutylamino)methyl]-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid;hydrochloride
SMILESCl.Cn1c(CNC2CCC2)cc2cc3c(cc21)CCc1c-3[nH]c(=O)c(C(=O)O)c1O
InChIInChI=1S/C22H23N3O4.ClH/c1-25-14(10-23-13-3-2-4-13)7-12-8-16-11(9-17(12)25)5-6-15-19(16)24-21(27)18(20(15)26)22(28)29;/h7-9,13,23H,2-6,10H2,1H3,(H,28,29)(H2,24,26,27);1H
InChIKeyQNMNEFMKFMCLHP-UHFFFAOYSA-N
XLogP3.10
TPSA107.35 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.90
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-[(cyclobutylamino)methyl]-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid;hydrochloride?
The IUPAC name of 9-[(cyclobutylamino)methyl]-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid;hydrochloride (CID 118865373) is 9-[(cyclobutylamino)methyl]-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid;hydrochloride.
What is the SMILES notation for 9-[(cyclobutylamino)methyl]-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid;hydrochloride?
The canonical SMILES for 9-[(cyclobutylamino)methyl]-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid;hydrochloride is Cl.Cn1c(CNC2CCC2)cc2cc3c(cc21)CCc1c-3[nH]c(=O)c(C(=O)O)c1O.
What is the InChIKey of 9-[(cyclobutylamino)methyl]-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid;hydrochloride?
The InChIKey is QNMNEFMKFMCLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4.ClH/c1-25-14(10-23-13-3-2-4-13)7-12-8-16-11(9-17(12)25)5-6-15-19(16)24-21(27)18(20(15)26)22(28)29;/h7-9,13,23H,2-6,10H2,1H3,(H,28,29)(H2,24,26,27);1H.
What are the key properties of 9-[(cyclobutylamino)methyl]-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid;hydrochloride?
9-[(cyclobutylamino)methyl]-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid;hydrochloride has a molecular weight of 429.90 g/mol, XLogP of 3.10, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(cyclobutylamino)methyl]-4-hydroxy-8-methyl-2-oxo-5,6-dihydro-1H-indolo[6,5-h]quinoline-3-carboxylic acid;hydrochloride is sourced from PubChem (CID 118865373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).