7-amino-4-methyl-3-(3-naphthalen-2-ylprop-2-enoyl)chromen-2-one

C23H17NO3 — CID 150870125

IUPAC7-amino-4-methyl-3-(3-naphthalen-2-ylprop-2-enoyl)chromen-2-one
SMILESCc1c(C(=O)C=Cc2ccc3ccccc3c2)c(=O)oc2cc(N)ccc12
InChIInChI=1S/C23H17NO3/c1-14-19-10-9-18(24)13-21(19)27-23(26)22(14)20(25)11-7-15-6-8-16-4-2-3-5-17(16)12-15/h2-13H,24H2,1H3
InChIKeyKTWAZALJUAJVMW-UHFFFAOYSA-N
MW355.39 g/mol
LogP4.73
Rot. Bonds3

About 7-amino-4-methyl-3-(3-naphthalen-2-ylprop-2-enoyl)chromen-2-one

7-amino-4-methyl-3-(3-naphthalen-2-ylprop-2-enoyl)chromen-2-one (PubChem CID 150870125) has the molecular formula C23H17NO3 and a molecular weight of 355.39 g/mol. Its IUPAC name is 7-amino-4-methyl-3-(3-naphthalen-2-ylprop-2-enoyl)chromen-2-one.

Molecular Properties

Compound Name7-amino-4-methyl-3-(3-naphthalen-2-ylprop-2-enoyl)chromen-2-one
PubChem CID150870125
Molecular FormulaC23H17NO3
Molecular Weight355.39 g/mol
Exact Mass355.12
IUPAC Name7-amino-4-methyl-3-(3-naphthalen-2-ylprop-2-enoyl)chromen-2-one
SMILESCc1c(C(=O)C=Cc2ccc3ccccc3c2)c(=O)oc2cc(N)ccc12
InChIInChI=1S/C23H17NO3/c1-14-19-10-9-18(24)13-21(19)27-23(26)22(14)20(25)11-7-15-6-8-16-4-2-3-5-17(16)12-15/h2-13H,24H2,1H3
InChIKeyKTWAZALJUAJVMW-UHFFFAOYSA-N
XLogP4.73
TPSA73.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

7-amino-4-methyl-3-(2-oxopropyl)chromen-2-one
CID 89185013
7-amino-3-decanoyl-4-methylchromen-2-one
CID 87319141
4,6-dimethyl-3-[(E)-3-phenylprop-2-enoyl]pyran-2-one
CID 59255535
3-[(Z)-3-naphthalen-2-ylprop-2-enoyl]chromen-4-one
CID 92909326
4-amino-5-(7-amino-4-methyl-2-oxochromen-3-yl)-5-oxopentanoic acid
CID 87556335
ethyl 7-amino-3-methyl-2-oxochromene-4-carboxylate
CID 141118474
4-methoxy-3-[(E)-3-phenylprop-2-enoyl]chromen-2-one
CID 147240010
3-[(E)-3-(3-nitrophenyl)prop-2-enoyl]chromen-2-one
CID 6010921
3-[(E)-3-(3-ethoxyphenyl)prop-2-enoyl]-4-hydroxychromen-2-one
CID 54684783
[2-oxo-3-[(E)-3-(2-oxochromen-3-yl)prop-2-enoyl]chromen-4-yl] acetate
CID 142097998
1,7-dinaphthalen-2-ylhepta-1,6-diene-3,5-dione
CID 86098447
1-ethyl-4-hydroxy-3-(3-naphthalen-2-ylprop-2-enoyl)quinolin-2-one
CID 54704797

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-methyl-3-(3-naphthalen-2-ylprop-2-enoyl)chromen-2-one?
The IUPAC name of 7-amino-4-methyl-3-(3-naphthalen-2-ylprop-2-enoyl)chromen-2-one (CID 150870125) is 7-amino-4-methyl-3-(3-naphthalen-2-ylprop-2-enoyl)chromen-2-one.
What is the SMILES notation for 7-amino-4-methyl-3-(3-naphthalen-2-ylprop-2-enoyl)chromen-2-one?
The canonical SMILES for 7-amino-4-methyl-3-(3-naphthalen-2-ylprop-2-enoyl)chromen-2-one is Cc1c(C(=O)C=Cc2ccc3ccccc3c2)c(=O)oc2cc(N)ccc12.
What is the InChIKey of 7-amino-4-methyl-3-(3-naphthalen-2-ylprop-2-enoyl)chromen-2-one?
The InChIKey is KTWAZALJUAJVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO3/c1-14-19-10-9-18(24)13-21(19)27-23(26)22(14)20(25)11-7-15-6-8-16-4-2-3-5-17(16)12-15/h2-13H,24H2,1H3.
What are the key properties of 7-amino-4-methyl-3-(3-naphthalen-2-ylprop-2-enoyl)chromen-2-one?
7-amino-4-methyl-3-(3-naphthalen-2-ylprop-2-enoyl)chromen-2-one has a molecular weight of 355.39 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-methyl-3-(3-naphthalen-2-ylprop-2-enoyl)chromen-2-one is sourced from PubChem (CID 150870125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).