2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one

C14H16N4O2 — CID 5125278

IUPAC2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1N=CN1CCOCC1
InChIInChI=1S/C14H16N4O2/c1-11-16-13-5-3-2-4-12(13)14(19)18(11)15-10-17-6-8-20-9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyOTYPTTCXDUECBR-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.83
Rot. Bonds2

About 2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one

2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one (PubChem CID 5125278) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one.

Molecular Properties

Compound Name2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one
PubChem CID5125278
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one
SMILESCc1nc2ccccc2c(=O)n1N=CN1CCOCC1
InChIInChI=1S/C14H16N4O2/c1-11-16-13-5-3-2-4-12(13)14(19)18(11)15-10-17-6-8-20-9-7-17/h2-5,10H,6-9H2,1H3
InChIKeyOTYPTTCXDUECBR-UHFFFAOYSA-N
XLogP0.83
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one?
The IUPAC name of 2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one (CID 5125278) is 2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one.
What is the SMILES notation for 2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one?
The canonical SMILES for 2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one is Cc1nc2ccccc2c(=O)n1N=CN1CCOCC1.
What is the InChIKey of 2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one?
The InChIKey is OTYPTTCXDUECBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-11-16-13-5-3-2-4-12(13)14(19)18(11)15-10-17-6-8-20-9-7-17/h2-5,10H,6-9H2,1H3.
What are the key properties of 2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one?
2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one has a molecular weight of 272.31 g/mol, XLogP of 0.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(morpholin-4-ylmethylideneamino)quinazolin-4-one is sourced from PubChem (CID 5125278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).