N'-methyl-N'-[(4-methylquinazolin-2-yl)methyl]-N-(2-propyl-1,3-dihydroisoindol-4-yl)oxamide

C24H27N5O2 — CID 166187376

IUPACN'-methyl-N'-[(4-methylquinazolin-2-yl)methyl]-N-(2-propyl-1,3-dihydroisoindol-4-yl)oxamide
SMILESCCCN1Cc2cccc(NC(=O)C(=O)N(C)Cc3nc(C)c4ccccc4n3)c2C1
InChIInChI=1S/C24H27N5O2/c1-4-12-29-13-17-8-7-11-21(19(17)14-29)27-23(30)24(31)28(3)15-22-25-16(2)18-9-5-6-10-20(18)26-22/h5-11H,4,12-15H2,1-3H3,(H,27,30)
InChIKeyMWBGANHGEHSMJI-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.26
Rot. Bonds5

About N'-methyl-N'-[(4-methylquinazolin-2-yl)methyl]-N-(2-propyl-1,3-dihydroisoindol-4-yl)oxamide

N'-methyl-N'-[(4-methylquinazolin-2-yl)methyl]-N-(2-propyl-1,3-dihydroisoindol-4-yl)oxamide (PubChem CID 166187376) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is N'-methyl-N'-[(4-methylquinazolin-2-yl)methyl]-N-(2-propyl-1,3-dihydroisoindol-4-yl)oxamide.

Molecular Properties

Compound NameN'-methyl-N'-[(4-methylquinazolin-2-yl)methyl]-N-(2-propyl-1,3-dihydroisoindol-4-yl)oxamide
PubChem CID166187376
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC NameN'-methyl-N'-[(4-methylquinazolin-2-yl)methyl]-N-(2-propyl-1,3-dihydroisoindol-4-yl)oxamide
SMILESCCCN1Cc2cccc(NC(=O)C(=O)N(C)Cc3nc(C)c4ccccc4n3)c2C1
InChIInChI=1S/C24H27N5O2/c1-4-12-29-13-17-8-7-11-21(19(17)14-29)27-23(30)24(31)28(3)15-22-25-16(2)18-9-5-6-10-20(18)26-22/h5-11H,4,12-15H2,1-3H3,(H,27,30)
InChIKeyMWBGANHGEHSMJI-UHFFFAOYSA-N
XLogP3.26
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-methyl-N'-[(4-methylquinazolin-2-yl)methyl]-N-(2-propyl-1,3-dihydroisoindol-4-yl)oxamide?
The IUPAC name of N'-methyl-N'-[(4-methylquinazolin-2-yl)methyl]-N-(2-propyl-1,3-dihydroisoindol-4-yl)oxamide (CID 166187376) is N'-methyl-N'-[(4-methylquinazolin-2-yl)methyl]-N-(2-propyl-1,3-dihydroisoindol-4-yl)oxamide.
What is the SMILES notation for N'-methyl-N'-[(4-methylquinazolin-2-yl)methyl]-N-(2-propyl-1,3-dihydroisoindol-4-yl)oxamide?
The canonical SMILES for N'-methyl-N'-[(4-methylquinazolin-2-yl)methyl]-N-(2-propyl-1,3-dihydroisoindol-4-yl)oxamide is CCCN1Cc2cccc(NC(=O)C(=O)N(C)Cc3nc(C)c4ccccc4n3)c2C1.
What is the InChIKey of N'-methyl-N'-[(4-methylquinazolin-2-yl)methyl]-N-(2-propyl-1,3-dihydroisoindol-4-yl)oxamide?
The InChIKey is MWBGANHGEHSMJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-4-12-29-13-17-8-7-11-21(19(17)14-29)27-23(30)24(31)28(3)15-22-25-16(2)18-9-5-6-10-20(18)26-22/h5-11H,4,12-15H2,1-3H3,(H,27,30).
What are the key properties of N'-methyl-N'-[(4-methylquinazolin-2-yl)methyl]-N-(2-propyl-1,3-dihydroisoindol-4-yl)oxamide?
N'-methyl-N'-[(4-methylquinazolin-2-yl)methyl]-N-(2-propyl-1,3-dihydroisoindol-4-yl)oxamide has a molecular weight of 417.51 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N'-[(4-methylquinazolin-2-yl)methyl]-N-(2-propyl-1,3-dihydroisoindol-4-yl)oxamide is sourced from PubChem (CID 166187376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).