6,7-dimethyl-4-[7-methyl-4-[(2-methylpropylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;hydrochloride

C24H27ClN2O3 — CID 71825978

IUPAC6,7-dimethyl-4-[7-methyl-4-[(2-methylpropylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;hydrochloride
SMILESCc1cc2oc(=O)cc(-c3cc4c(CNCC(C)C)cnc(C)c4o3)c2cc1C.Cl
InChIInChI=1S/C24H26N2O3.ClH/c1-13(2)10-25-11-17-12-26-16(5)24-18(17)8-22(29-24)20-9-23(27)28-21-7-15(4)14(3)6-19(20)21;/h6-9,12-13,25H,10-11H2,1-5H3;1H
InChIKeyAKKCNSPATPTGLP-UHFFFAOYSA-N
MW426.94 g/mol
LogP5.69
Rot. Bonds5

About 6,7-dimethyl-4-[7-methyl-4-[(2-methylpropylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;hydrochloride

6,7-dimethyl-4-[7-methyl-4-[(2-methylpropylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;hydrochloride (PubChem CID 71825978) has the molecular formula C24H27ClN2O3 and a molecular weight of 426.94 g/mol. Its IUPAC name is 6,7-dimethyl-4-[7-methyl-4-[(2-methylpropylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;hydrochloride.

Molecular Properties

Compound Name6,7-dimethyl-4-[7-methyl-4-[(2-methylpropylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;hydrochloride
PubChem CID71825978
Molecular FormulaC24H27ClN2O3
Molecular Weight426.94 g/mol
Exact Mass426.17
IUPAC Name6,7-dimethyl-4-[7-methyl-4-[(2-methylpropylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;hydrochloride
SMILESCc1cc2oc(=O)cc(-c3cc4c(CNCC(C)C)cnc(C)c4o3)c2cc1C.Cl
InChIInChI=1S/C24H26N2O3.ClH/c1-13(2)10-25-11-17-12-26-16(5)24-18(17)8-22(29-24)20-9-23(27)28-21-7-15(4)14(3)6-19(20)21;/h6-9,12-13,25H,10-11H2,1-5H3;1H
InChIKeyAKKCNSPATPTGLP-UHFFFAOYSA-N
XLogP5.69
TPSA68.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.94
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6,7-dimethyl-4-[7-methyl-4-[(2-methylpropylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;hydrochloride with MolForge

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Related Compounds

4-[4-(azepan-1-ylmethyl)-7-methylfuro[2,3-c]pyridin-2-yl]-6,7-dimethylchromen-2-one
CID 71709741
7,8-dimethyl-4-[7-methyl-4-[(pyridin-3-ylmethylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;dihydrochloride
CID 71829113
8-[4-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-[1,3]dioxolo[4,5-g]chromen-6-one;dihydrochloride
CID 71829012
6,7-dimethyl-4-[[[(2S)-2-phenylpropyl]amino]methyl]chromen-2-one
CID 9264108
4-[4-[[(2R)-2-(2-hydroxyethyl)piperidin-1-yl]methyl]-7-methylfuro[2,3-c]pyridin-2-yl]-7-methylchromen-2-one
CID 97266324
6,7-dimethyl-4-[[(4-methylphenyl)methylamino]methyl]chromen-2-one
CID 9256676
4-[[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylmethyl]-6,7-dimethylchromen-2-one
CID 40518431
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
2,6-dimethyl-4-[(2-methylpropylamino)methyl]pyridazin-3-one
CID 82442625
N-[2-[(6,7-dimethyl-2-oxochromen-4-yl)methylamino]ethyl]acetamide
CID 9262867
4-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]-6,7-dimethylchromen-2-one
CID 9265890
2-methyl-N-[[5-(2-methyl-5-nitrophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 65181462

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-4-[7-methyl-4-[(2-methylpropylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;hydrochloride?
The IUPAC name of 6,7-dimethyl-4-[7-methyl-4-[(2-methylpropylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;hydrochloride (CID 71825978) is 6,7-dimethyl-4-[7-methyl-4-[(2-methylpropylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;hydrochloride.
What is the SMILES notation for 6,7-dimethyl-4-[7-methyl-4-[(2-methylpropylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;hydrochloride?
The canonical SMILES for 6,7-dimethyl-4-[7-methyl-4-[(2-methylpropylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;hydrochloride is Cc1cc2oc(=O)cc(-c3cc4c(CNCC(C)C)cnc(C)c4o3)c2cc1C.Cl.
What is the InChIKey of 6,7-dimethyl-4-[7-methyl-4-[(2-methylpropylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;hydrochloride?
The InChIKey is AKKCNSPATPTGLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3.ClH/c1-13(2)10-25-11-17-12-26-16(5)24-18(17)8-22(29-24)20-9-23(27)28-21-7-15(4)14(3)6-19(20)21;/h6-9,12-13,25H,10-11H2,1-5H3;1H.
What are the key properties of 6,7-dimethyl-4-[7-methyl-4-[(2-methylpropylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;hydrochloride?
6,7-dimethyl-4-[7-methyl-4-[(2-methylpropylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;hydrochloride has a molecular weight of 426.94 g/mol, XLogP of 5.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-4-[7-methyl-4-[(2-methylpropylamino)methyl]furo[2,3-c]pyridin-2-yl]chromen-2-one;hydrochloride is sourced from PubChem (CID 71825978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).