N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

C26H20N4O3 — CID 16561409

IUPACN-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1nc2ccccc2c2c(NC(=O)CCn3c(=O)oc4ccccc43)c3ccccc3n12
InChIInChI=1S/C26H20N4O3/c1-16-27-19-10-4-2-8-17(19)25-24(18-9-3-5-11-20(18)30(16)25)28-23(31)14-15-29-21-12-6-7-13-22(21)33-26(29)32/h2-13H,14-15H2,1H3,(H,28,31)
InChIKeyIAVYZRZZPQTTPA-UHFFFAOYSA-N
MW436.47 g/mol
LogP4.89
Rot. Bonds4

About N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide

N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (PubChem CID 16561409) has the molecular formula C26H20N4O3 and a molecular weight of 436.47 g/mol. Its IUPAC name is N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound NameN-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
PubChem CID16561409
Molecular FormulaC26H20N4O3
Molecular Weight436.47 g/mol
Exact Mass436.15
IUPAC NameN-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
SMILESCc1nc2ccccc2c2c(NC(=O)CCn3c(=O)oc4ccccc43)c3ccccc3n12
InChIInChI=1S/C26H20N4O3/c1-16-27-19-10-4-2-8-17(19)25-24(18-9-3-5-11-20(18)30(16)25)28-23(31)14-15-29-21-12-6-7-13-22(21)33-26(29)32/h2-13H,14-15H2,1H3,(H,28,31)
InChIKeyIAVYZRZZPQTTPA-UHFFFAOYSA-N
XLogP4.89
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.47
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethylpyrazol-1-yl)-N-(6-methylindolo[1,2-c]quinazolin-12-yl)propanamide
CID 55532800
N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 55380975
N-tert-butyl-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51197823
5,7-dimethyl-N-(6-methylindolo[1,2-c]quinazolin-12-yl)-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 31302853
N-(2,3-dimethylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 3163772
N-(4-methylsulfanylphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 42370403
N-[2-(1H-benzimidazol-2-yl)phenyl]-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 78804367
3-(2-oxo-1,3-benzoxazol-3-yl)-N-[3-(phenylcarbamoylamino)phenyl]propanamide
CID 55504169
N-(2-methyl-1-phenylpropyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 51213975
N-(3-hydroxy-2-pyridinyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 30161577
N-(3,5-dimethoxyphenyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 7992559
N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55771246

Frequently Asked Questions

What is the IUPAC name of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The IUPAC name of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide (CID 16561409) is N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide.
What is the SMILES notation for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The canonical SMILES for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is Cc1nc2ccccc2c2c(NC(=O)CCn3c(=O)oc4ccccc43)c3ccccc3n12.
What is the InChIKey of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
The InChIKey is IAVYZRZZPQTTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N4O3/c1-16-27-19-10-4-2-8-17(19)25-24(18-9-3-5-11-20(18)30(16)25)28-23(31)14-15-29-21-12-6-7-13-22(21)33-26(29)32/h2-13H,14-15H2,1H3,(H,28,31).
What are the key properties of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide?
N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide has a molecular weight of 436.47 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 16561409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).