4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-propylbenzamide

C23H24N4O2 — CID 135503748

IUPAC4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-propylbenzamide
SMILESC#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)NCCC)cc1
InChIInChI=1S/C23H24N4O2/c1-4-12-24-22(28)18-7-9-19(10-8-18)27(13-5-2)15-17-6-11-21-20(14-17)23(29)26-16(3)25-21/h2,6-11,14H,4,12-13,15H2,1,3H3,(H,24,28)(H,25,26,29)
InChIKeyLIPFBXPZJPFEMC-UHFFFAOYSA-N
MW388.47 g/mol
LogP3.01
Rot. Bonds7

About 4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-propylbenzamide

4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-propylbenzamide (PubChem CID 135503748) has the molecular formula C23H24N4O2 and a molecular weight of 388.47 g/mol. Its IUPAC name is 4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-propylbenzamide.

Molecular Properties

Compound Name4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-propylbenzamide
PubChem CID135503748
Molecular FormulaC23H24N4O2
Molecular Weight388.47 g/mol
Exact Mass388.19
IUPAC Name4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-propylbenzamide
SMILESC#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)NCCC)cc1
InChIInChI=1S/C23H24N4O2/c1-4-12-24-22(28)18-7-9-19(10-8-18)27(13-5-2)15-17-6-11-21-20(14-17)23(29)26-16(3)25-21/h2,6-11,14H,4,12-13,15H2,1,3H3,(H,24,28)(H,25,26,29)
InChIKeyLIPFBXPZJPFEMC-UHFFFAOYSA-N
XLogP3.01
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(2,4-dimethylphenyl)-2-methylquinazolin-4(3H)-one
CID 63382
ME0328
CID 135566764
N-(4-(((3,4-Dihydro-2-methyl-4-oxo-6-quinazolinyl)methyl)-2-propyn-1-ylamino)benzoyl)-L-glutamic acid
CID 135400203
3-(2-Amino-6-benzoylquinazolin-3(4H)-YL)-N-cyclohexyl-N-methylpropanamide
CID 16741238
2-{3-[4-(4-Fluorophenyl)-3,6-Dihydro-1(2h)-Pyridinyl]Propyl}-8-Methyl-4(3h)-Quinazolinone
CID 135460986
2-{(E)-2-[4-(dimethylamino)phenyl]ethenyl}quinazolin-4(3H)-one
CID 135446758
2-[4-(dimethylamino)phenyl]-4(3H)-quinazolinone
CID 135460530
3(4H)-Quinazolineacetamide, 4-oxo-N-phenyl-
CID 742756
4(3H)-Quinazolinone, 2-methyl-3-phenethyl-
CID 63248
4(3H)-Quinazolinone, 2-((4-phenyl-1-piperazinyl)methyl)-
CID 135399488
6-benzyl-4-oxo-N-propyl-1H-quinoline-3-carboxamide
CID 44409492
2-Amino-N(1),N(3)-bis(4-(4,5-dihydro-1H-imidazol-2-yl)phenyl)isophthalamide
CID 251786

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-propylbenzamide?
The IUPAC name of 4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-propylbenzamide (CID 135503748) is 4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-propylbenzamide.
What is the SMILES notation for 4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-propylbenzamide?
The canonical SMILES for 4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-propylbenzamide is C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)NCCC)cc1.
What is the InChIKey of 4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-propylbenzamide?
The InChIKey is LIPFBXPZJPFEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O2/c1-4-12-24-22(28)18-7-9-19(10-8-18)27(13-5-2)15-17-6-11-21-20(14-17)23(29)26-16(3)25-21/h2,6-11,14H,4,12-13,15H2,1,3H3,(H,24,28)(H,25,26,29).
What are the key properties of 4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-propylbenzamide?
4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-propylbenzamide has a molecular weight of 388.47 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-4-oxo-3H-quinazolin-6-yl)methyl-prop-2-ynylamino]-N-propylbenzamide is sourced from PubChem (CID 135503748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).