2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one

C20H17N3O2 — CID 5291469

IUPAC2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one
SMILESCc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1C)C(=O)N2C
InChIInChI=1S/C20H17N3O2/c1-12-8-9-17-14(10-12)15(20(25)22(17)2)11-18-21-16-7-5-4-6-13(16)19(24)23(18)3/h4-11H,1-3H3/b15-11-
InChIKeyXXQVNQSZSZBWAO-PTNGSMBKSA-N
MW331.38 g/mol
LogP2.76
Rot. Bonds1

About 2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one

2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one (PubChem CID 5291469) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one.

Molecular Properties

Compound Name2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one
PubChem CID5291469
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one
SMILESCc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1C)C(=O)N2C
InChIInChI=1S/C20H17N3O2/c1-12-8-9-17-14(10-12)15(20(25)22(17)2)11-18-21-16-7-5-4-6-13(16)19(24)23(18)3/h4-11H,1-3H3/b15-11-
InChIKeyXXQVNQSZSZBWAO-PTNGSMBKSA-N
XLogP2.76
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one?
The IUPAC name of 2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one (CID 5291469) is 2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one.
What is the SMILES notation for 2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one?
The canonical SMILES for 2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one is Cc1ccc2c(c1)/C(=C/c1nc3ccccc3c(=O)n1C)C(=O)N2C.
What is the InChIKey of 2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one?
The InChIKey is XXQVNQSZSZBWAO-PTNGSMBKSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-12-8-9-17-14(10-12)15(20(25)22(17)2)11-18-21-16-7-5-4-6-13(16)19(24)23(18)3/h4-11H,1-3H3/b15-11-.
What are the key properties of 2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one?
2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one has a molecular weight of 331.38 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-(1,5-dimethyl-2-oxoindol-3-ylidene)methyl]-3-methylquinazolin-4-one is sourced from PubChem (CID 5291469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).