N-[2-[benzyl(methyl)amino]ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide

C25H26N4O3 — CID 3242859

IUPACN-[2-[benzyl(methyl)amino]ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide
SMILESCN(CCNC(=O)C1(O)c2ccccc2NC(=O)N1c1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H26N4O3/c1-28(18-19-10-4-2-5-11-19)17-16-26-23(30)25(32)21-14-8-9-15-22(21)27-24(31)29(25)20-12-6-3-7-13-20/h2-15,32H,16-18H2,1H3,(H,26,30)(H,27,31)
InChIKeyNGXRLEJZSULCKG-UHFFFAOYSA-N
MW430.51 g/mol
LogP3.13
Rot. Bonds7

About N-[2-[benzyl(methyl)amino]ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide

N-[2-[benzyl(methyl)amino]ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide (PubChem CID 3242859) has the molecular formula C25H26N4O3 and a molecular weight of 430.51 g/mol. Its IUPAC name is N-[2-[benzyl(methyl)amino]ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-[benzyl(methyl)amino]ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide
PubChem CID3242859
Molecular FormulaC25H26N4O3
Molecular Weight430.51 g/mol
Exact Mass430.20
IUPAC NameN-[2-[benzyl(methyl)amino]ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide
SMILESCN(CCNC(=O)C1(O)c2ccccc2NC(=O)N1c1ccccc1)Cc1ccccc1
InChIInChI=1S/C25H26N4O3/c1-28(18-19-10-4-2-5-11-19)17-16-26-23(30)25(32)21-14-8-9-15-22(21)27-24(31)29(25)20-12-6-3-7-13-20/h2-15,32H,16-18H2,1H3,(H,26,30)(H,27,31)
InChIKeyNGXRLEJZSULCKG-UHFFFAOYSA-N
XLogP3.13
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.51
LogP ≤ 53.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide?
The IUPAC name of N-[2-[benzyl(methyl)amino]ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide (CID 3242859) is N-[2-[benzyl(methyl)amino]ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide.
What is the SMILES notation for N-[2-[benzyl(methyl)amino]ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide?
The canonical SMILES for N-[2-[benzyl(methyl)amino]ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide is CN(CCNC(=O)C1(O)c2ccccc2NC(=O)N1c1ccccc1)Cc1ccccc1.
What is the InChIKey of N-[2-[benzyl(methyl)amino]ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide?
The InChIKey is NGXRLEJZSULCKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O3/c1-28(18-19-10-4-2-5-11-19)17-16-26-23(30)25(32)21-14-8-9-15-22(21)27-24(31)29(25)20-12-6-3-7-13-20/h2-15,32H,16-18H2,1H3,(H,26,30)(H,27,31).
What are the key properties of N-[2-[benzyl(methyl)amino]ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide?
N-[2-[benzyl(methyl)amino]ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide has a molecular weight of 430.51 g/mol, XLogP of 3.13, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[benzyl(methyl)amino]ethyl]-4-hydroxy-2-oxo-3-phenyl-1H-quinazoline-4-carboxamide is sourced from PubChem (CID 3242859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).