2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one

C18H15NO2 — CID 142882633

IUPAC2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one
SMILESCC1(C)C=Cc2c(ccc3c2c(=O)oc2ccccc23)N1
InChIInChI=1S/C18H15NO2/c1-18(2)10-9-13-14(19-18)8-7-12-11-5-3-4-6-15(11)21-17(20)16(12)13/h3-10,19H,1-2H3
InChIKeyPBBQKGOTXCMKQX-UHFFFAOYSA-N
MW277.32 g/mol
LogP4.16
Rot. Bonds

About 2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one

2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one (PubChem CID 142882633) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one.

Molecular Properties

Compound Name2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one
PubChem CID142882633
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one
SMILESCC1(C)C=Cc2c(ccc3c2c(=O)oc2ccccc23)N1
InChIInChI=1S/C18H15NO2/c1-18(2)10-9-13-14(19-18)8-7-12-11-5-3-4-6-15(11)21-17(20)16(12)13/h3-10,19H,1-2H3
InChIKeyPBBQKGOTXCMKQX-UHFFFAOYSA-N
XLogP4.16
TPSA42.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one?
The IUPAC name of 2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one (CID 142882633) is 2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one.
What is the SMILES notation for 2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one?
The canonical SMILES for 2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one is CC1(C)C=Cc2c(ccc3c2c(=O)oc2ccccc23)N1.
What is the InChIKey of 2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one?
The InChIKey is PBBQKGOTXCMKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO2/c1-18(2)10-9-13-14(19-18)8-7-12-11-5-3-4-6-15(11)21-17(20)16(12)13/h3-10,19H,1-2H3.
What are the key properties of 2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one?
2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one has a molecular weight of 277.32 g/mol, XLogP of 4.16, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1H-chromeno[3,4-f]quinolin-5-one is sourced from PubChem (CID 142882633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).