3-naphthalen-2-yl-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one

C27H17N3O2 — CID 2893143

IUPAC3-naphthalen-2-yl-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
SMILESO=C1Nc2ccccc2C1=Cc1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1
InChIInChI=1S/C27H17N3O2/c31-26-22(20-9-3-5-11-23(20)29-26)16-25-28-24-12-6-4-10-21(24)27(32)30(25)19-14-13-17-7-1-2-8-18(17)15-19/h1-16H,(H,29,31)
InChIKeySJHNABZMWSSHDC-UHFFFAOYSA-N
MW415.45 g/mol
LogP5.03
Rot. Bonds2

About 3-naphthalen-2-yl-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one

3-naphthalen-2-yl-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one (PubChem CID 2893143) has the molecular formula C27H17N3O2 and a molecular weight of 415.45 g/mol. Its IUPAC name is 3-naphthalen-2-yl-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-naphthalen-2-yl-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
PubChem CID2893143
Molecular FormulaC27H17N3O2
Molecular Weight415.45 g/mol
Exact Mass415.13
IUPAC Name3-naphthalen-2-yl-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
SMILESO=C1Nc2ccccc2C1=Cc1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1
InChIInChI=1S/C27H17N3O2/c31-26-22(20-9-3-5-11-23(20)29-26)16-25-28-24-12-6-4-10-21(24)27(32)30(25)19-14-13-17-7-1-2-8-18(17)15-19/h1-16H,(H,29,31)
InChIKeySJHNABZMWSSHDC-UHFFFAOYSA-N
XLogP5.03
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.45
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(4-bromophenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
CID 135757484
6-iodo-3-(4-methoxyphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
CID 135585060
2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]-3-(3-methylphenyl)quinazolin-4-one
CID 135531721
ethyl 4-[4-oxo-2-[(E)-(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-3-yl]benzoate
CID 135449526
3-(3-methoxyphenyl)-2-[(Z)-(5-methyl-2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
CID 135580371
2-[2-(4-hydroxyphenyl)ethenyl]-3-naphthalen-2-ylquinazolin-4-one
CID 3776041
2-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-3-(2-chlorophenyl)quinazolin-4-one
CID 2921515
(3E)-3-[(1-methylbenzimidazol-2-yl)methylidene]-1H-indol-2-one
CID 137292411
2-[(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-3-methylquinazolin-4-one
CID 3398441
2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)methyl]-3-(4-chlorophenyl)-6-iodoquinazolin-4-one
CID 135658488
(3E)-3-[(1-propan-2-ylbenzimidazol-2-yl)methylidene]-1H-indol-2-one
CID 137290242
3-(4-chloro-2-nitrophenyl)-6-iodo-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one
CID 4978506

Frequently Asked Questions

What is the IUPAC name of 3-naphthalen-2-yl-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one?
The IUPAC name of 3-naphthalen-2-yl-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one (CID 2893143) is 3-naphthalen-2-yl-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one.
What is the SMILES notation for 3-naphthalen-2-yl-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one?
The canonical SMILES for 3-naphthalen-2-yl-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one is O=C1Nc2ccccc2C1=Cc1nc2ccccc2c(=O)n1-c1ccc2ccccc2c1.
What is the InChIKey of 3-naphthalen-2-yl-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one?
The InChIKey is SJHNABZMWSSHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H17N3O2/c31-26-22(20-9-3-5-11-23(20)29-26)16-25-28-24-12-6-4-10-21(24)27(32)30(25)19-14-13-17-7-1-2-8-18(17)15-19/h1-16H,(H,29,31).
What are the key properties of 3-naphthalen-2-yl-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one?
3-naphthalen-2-yl-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one has a molecular weight of 415.45 g/mol, XLogP of 5.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-naphthalen-2-yl-2-[(2-oxo-1H-indol-3-ylidene)methyl]quinazolin-4-one is sourced from PubChem (CID 2893143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).