N-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide

C20H20N4O3 — CID 136579516

IUPACN-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(NCc1ccccc1N1CCOCC1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H20N4O3/c25-19-15-6-2-3-7-16(15)22-18(23-19)20(26)21-13-14-5-1-4-8-17(14)24-9-11-27-12-10-24/h1-8H,9-13H2,(H,21,26)(H,22,23,25)
InChIKeyUHMSNBIMKNYBAC-UHFFFAOYSA-N
MW364.41 g/mol
LogP1.69
Rot. Bonds4

About N-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide

N-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide (PubChem CID 136579516) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide.

Molecular Properties

Compound NameN-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
PubChem CID136579516
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide
SMILESO=C(NCc1ccccc1N1CCOCC1)c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C20H20N4O3/c25-19-15-6-2-3-7-16(15)22-18(23-19)20(26)21-13-14-5-1-4-8-17(14)24-9-11-27-12-10-24/h1-8H,9-13H2,(H,21,26)(H,22,23,25)
InChIKeyUHMSNBIMKNYBAC-UHFFFAOYSA-N
XLogP1.69
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[2-[(2-morpholin-4-ylphenyl)methylamino]-2-oxoethyl]benzoate
CID 75440397
2-methyl-N-[(2-morpholin-4-ylphenyl)methyl]propanamide
CID 47400471
N-(2-aminoethyl)-4-oxo-3H-quinazoline-2-carboxamide
CID 135629189
3-methyl-N-[(2-morpholin-4-ylphenyl)methyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 71883592
2-cyclohexylidene-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 51096916
2,2,2-trifluoro-N-[(2-morpholin-4-ylphenyl)methyl]acetamide
CID 110443194
4-oxo-N-(oxolan-2-ylmethyl)-3H-quinazoline-2-carboxamide
CID 135629187
N-[(2-morpholin-4-ylphenyl)methyl]-1H-benzimidazol-2-amine
CID 133409906
N-[2-[(2,2-diphenylacetyl)amino]ethyl]-4-oxo-3H-quinazoline-2-carboxamide
CID 135658789
4-acetamido-N-[(2-morpholin-4-ylphenyl)methyl]benzamide
CID 47788856
N-[(2-morpholin-4-ylphenyl)methyl]pyrrolidine-2-carboxamide
CID 119853783
N-[(2-morpholin-4-ylphenyl)methyl]-5-oxopyrrolidine-2-carboxamide
CID 110445215

Frequently Asked Questions

What is the IUPAC name of N-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
The IUPAC name of N-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide (CID 136579516) is N-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide.
What is the SMILES notation for N-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
The canonical SMILES for N-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide is O=C(NCc1ccccc1N1CCOCC1)c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
The InChIKey is UHMSNBIMKNYBAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-19-15-6-2-3-7-16(15)22-18(23-19)20(26)21-13-14-5-1-4-8-17(14)24-9-11-27-12-10-24/h1-8H,9-13H2,(H,21,26)(H,22,23,25).
What are the key properties of N-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide?
N-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 1.69, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-morpholin-4-ylphenyl)methyl]-4-oxo-3H-quinazoline-2-carboxamide is sourced from PubChem (CID 136579516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).