N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide

C20H24N4O2 — CID 135877066

IUPACN,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1C(C)C
InChIInChI=1S/C20H24N4O2/c1-12(2)24-13(3)10-16(14(24)4)20(26)23(5)11-18-21-17-9-7-6-8-15(17)19(25)22-18/h6-10,12H,11H2,1-5H3,(H,21,22,25)
InChIKeyACKDZXPLUOJXCD-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.19
Rot. Bonds4

About N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide

N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 135877066) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID135877066
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC NameN,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1C(C)C
InChIInChI=1S/C20H24N4O2/c1-12(2)24-13(3)10-16(14(24)4)20(26)23(5)11-18-21-17-9-7-6-8-15(17)19(25)22-18/h6-10,12H,11H2,1-5H3,(H,21,22,25)
InChIKeyACKDZXPLUOJXCD-UHFFFAOYSA-N
XLogP3.19
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methyl-3-(2-methylpropyl)-1-[(4-oxo-3H-quinazolin-2-yl)methyl]urea
CID 135687276
N,2-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-5-sulfamoylbenzamide
CID 135971119
N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-3-carboxamide
CID 135941989
6-(2,5-dimethylfuran-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 135953917
N,3-dimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]furan-2-carboxamide
CID 135570319
3-chloro-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135570413
N-methyl-2-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]acetamide
CID 135951735
N-methyl-4-oxo-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135686740
4-chloro-N-methyl-2-nitro-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135893643
N-[(2-fluorophenyl)methyl]-N,2,5-trimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 112789852
2-methoxy-N-methyl-4-methylsulfanyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]benzamide
CID 135622288
3-(cyclopropanecarbonylamino)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]naphthalene-2-carboxamide
CID 135876422

Frequently Asked Questions

What is the IUPAC name of N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide (CID 135877066) is N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide is Cc1cc(C(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)c(C)n1C(C)C.
What is the InChIKey of N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is ACKDZXPLUOJXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-12(2)24-13(3)10-16(14(24)4)20(26)23(5)11-18-21-17-9-7-6-8-15(17)19(25)22-18/h6-10,12H,11H2,1-5H3,(H,21,22,25).
What are the key properties of N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide?
N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,5-trimethyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 135877066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).