N-[5-(dimethylamino)-4-oxo-7-phenyl-3-[(5-phenyloxolan-2-yl)methyl]quinazolin-2-yl]benzamide

C34H32N4O3 — CID 118053187

IUPACN-[5-(dimethylamino)-4-oxo-7-phenyl-3-[(5-phenyloxolan-2-yl)methyl]quinazolin-2-yl]benzamide
SMILESCN(C)c1cc(-c2ccccc2)cc2nc(NC(=O)c3ccccc3)n(CC3CCC(c4ccccc4)O3)c(=O)c12
InChIInChI=1S/C34H32N4O3/c1-37(2)29-21-26(23-12-6-3-7-13-23)20-28-31(29)33(40)38(34(35-28)36-32(39)25-16-10-5-11-17-25)22-27-18-19-30(41-27)24-14-8-4-9-15-24/h3-17,20-21,27,30H,18-19,22H2,1-2H3,(H,35,36,39)
InChIKeyINEKDLSJGDCNMG-UHFFFAOYSA-N
MW544.66 g/mol
LogP6.30
Rot. Bonds7

About N-[5-(dimethylamino)-4-oxo-7-phenyl-3-[(5-phenyloxolan-2-yl)methyl]quinazolin-2-yl]benzamide

N-[5-(dimethylamino)-4-oxo-7-phenyl-3-[(5-phenyloxolan-2-yl)methyl]quinazolin-2-yl]benzamide (PubChem CID 118053187) has the molecular formula C34H32N4O3 and a molecular weight of 544.66 g/mol. Its IUPAC name is N-[5-(dimethylamino)-4-oxo-7-phenyl-3-[(5-phenyloxolan-2-yl)methyl]quinazolin-2-yl]benzamide.

Molecular Properties

Compound NameN-[5-(dimethylamino)-4-oxo-7-phenyl-3-[(5-phenyloxolan-2-yl)methyl]quinazolin-2-yl]benzamide
PubChem CID118053187
Molecular FormulaC34H32N4O3
Molecular Weight544.66 g/mol
Exact Mass544.25
IUPAC NameN-[5-(dimethylamino)-4-oxo-7-phenyl-3-[(5-phenyloxolan-2-yl)methyl]quinazolin-2-yl]benzamide
SMILESCN(C)c1cc(-c2ccccc2)cc2nc(NC(=O)c3ccccc3)n(CC3CCC(c4ccccc4)O3)c(=O)c12
InChIInChI=1S/C34H32N4O3/c1-37(2)29-21-26(23-12-6-3-7-13-23)20-28-31(29)33(40)38(34(35-28)36-32(39)25-16-10-5-11-17-25)22-27-18-19-30(41-27)24-14-8-4-9-15-24/h3-17,20-21,27,30H,18-19,22H2,1-2H3,(H,35,36,39)
InChIKeyINEKDLSJGDCNMG-UHFFFAOYSA-N
XLogP6.30
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500544.66
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(dimethylamino)-4-oxo-7-phenyl-3-[(5-phenyloxolan-2-yl)methyl]quinazolin-2-yl]benzamide?
The IUPAC name of N-[5-(dimethylamino)-4-oxo-7-phenyl-3-[(5-phenyloxolan-2-yl)methyl]quinazolin-2-yl]benzamide (CID 118053187) is N-[5-(dimethylamino)-4-oxo-7-phenyl-3-[(5-phenyloxolan-2-yl)methyl]quinazolin-2-yl]benzamide.
What is the SMILES notation for N-[5-(dimethylamino)-4-oxo-7-phenyl-3-[(5-phenyloxolan-2-yl)methyl]quinazolin-2-yl]benzamide?
The canonical SMILES for N-[5-(dimethylamino)-4-oxo-7-phenyl-3-[(5-phenyloxolan-2-yl)methyl]quinazolin-2-yl]benzamide is CN(C)c1cc(-c2ccccc2)cc2nc(NC(=O)c3ccccc3)n(CC3CCC(c4ccccc4)O3)c(=O)c12.
What is the InChIKey of N-[5-(dimethylamino)-4-oxo-7-phenyl-3-[(5-phenyloxolan-2-yl)methyl]quinazolin-2-yl]benzamide?
The InChIKey is INEKDLSJGDCNMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32N4O3/c1-37(2)29-21-26(23-12-6-3-7-13-23)20-28-31(29)33(40)38(34(35-28)36-32(39)25-16-10-5-11-17-25)22-27-18-19-30(41-27)24-14-8-4-9-15-24/h3-17,20-21,27,30H,18-19,22H2,1-2H3,(H,35,36,39).
What are the key properties of N-[5-(dimethylamino)-4-oxo-7-phenyl-3-[(5-phenyloxolan-2-yl)methyl]quinazolin-2-yl]benzamide?
N-[5-(dimethylamino)-4-oxo-7-phenyl-3-[(5-phenyloxolan-2-yl)methyl]quinazolin-2-yl]benzamide has a molecular weight of 544.66 g/mol, XLogP of 6.30, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(dimethylamino)-4-oxo-7-phenyl-3-[(5-phenyloxolan-2-yl)methyl]quinazolin-2-yl]benzamide is sourced from PubChem (CID 118053187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).