6-[4-[(cyclohexylamino)methoxy]-3-(methylideneamino)phenyl]-3-methyl-1,4-dihydroquinazolin-2-one

C23H28N4O2 — CID 143969122

IUPAC6-[4-[(cyclohexylamino)methoxy]-3-(methylideneamino)phenyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESC=Nc1cc(-c2ccc3c(c2)CN(C)C(=O)N3)ccc1OCNC1CCCCC1
InChIInChI=1S/C23H28N4O2/c1-24-21-13-17(9-11-22(21)29-15-25-19-6-4-3-5-7-19)16-8-10-20-18(12-16)14-27(2)23(28)26-20/h8-13,19,25H,1,3-7,14-15H2,2H3,(H,26,28)
InChIKeyFUZQUJZEADGWRE-UHFFFAOYSA-N
MW392.50 g/mol
LogP4.92
Rot. Bonds6

About 6-[4-[(cyclohexylamino)methoxy]-3-(methylideneamino)phenyl]-3-methyl-1,4-dihydroquinazolin-2-one

6-[4-[(cyclohexylamino)methoxy]-3-(methylideneamino)phenyl]-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 143969122) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is 6-[4-[(cyclohexylamino)methoxy]-3-(methylideneamino)phenyl]-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-[4-[(cyclohexylamino)methoxy]-3-(methylideneamino)phenyl]-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID143969122
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name6-[4-[(cyclohexylamino)methoxy]-3-(methylideneamino)phenyl]-3-methyl-1,4-dihydroquinazolin-2-one
SMILESC=Nc1cc(-c2ccc3c(c2)CN(C)C(=O)N3)ccc1OCNC1CCCCC1
InChIInChI=1S/C23H28N4O2/c1-24-21-13-17(9-11-22(21)29-15-25-19-6-4-3-5-7-19)16-8-10-20-18(12-16)14-27(2)23(28)26-20/h8-13,19,25H,1,3-7,14-15H2,2H3,(H,26,28)
InChIKeyFUZQUJZEADGWRE-UHFFFAOYSA-N
XLogP4.92
TPSA65.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[4-[(cyclohexylamino)methoxy]-3-(methylideneamino)phenyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-[4-[(cyclohexylamino)methoxy]-3-(methylideneamino)phenyl]-3-methyl-1,4-dihydroquinazolin-2-one (CID 143969122) is 6-[4-[(cyclohexylamino)methoxy]-3-(methylideneamino)phenyl]-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-[4-[(cyclohexylamino)methoxy]-3-(methylideneamino)phenyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-[4-[(cyclohexylamino)methoxy]-3-(methylideneamino)phenyl]-3-methyl-1,4-dihydroquinazolin-2-one is C=Nc1cc(-c2ccc3c(c2)CN(C)C(=O)N3)ccc1OCNC1CCCCC1.
What is the InChIKey of 6-[4-[(cyclohexylamino)methoxy]-3-(methylideneamino)phenyl]-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is FUZQUJZEADGWRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-24-21-13-17(9-11-22(21)29-15-25-19-6-4-3-5-7-19)16-8-10-20-18(12-16)14-27(2)23(28)26-20/h8-13,19,25H,1,3-7,14-15H2,2H3,(H,26,28).
What are the key properties of 6-[4-[(cyclohexylamino)methoxy]-3-(methylideneamino)phenyl]-3-methyl-1,4-dihydroquinazolin-2-one?
6-[4-[(cyclohexylamino)methoxy]-3-(methylideneamino)phenyl]-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 392.50 g/mol, XLogP of 4.92, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[(cyclohexylamino)methoxy]-3-(methylideneamino)phenyl]-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 143969122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).