N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

C27H21N5O2 — CID 55380975

IUPACN-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCc1nc2ccccc2c2c(NC(=O)Cc3nn(C)c(=O)c4ccccc34)c3ccccc3n12
InChIInChI=1S/C27H21N5O2/c1-16-28-21-13-7-5-11-19(21)26-25(20-12-6-8-14-23(20)32(16)26)29-24(33)15-22-17-9-3-4-10-18(17)27(34)31(2)30-22/h3-14H,15H2,1-2H3,(H,29,33)
InChIKeyMVUOAJYSMDTJMN-UHFFFAOYSA-N
MW447.50 g/mol
LogP4.38
Rot. Bonds3

About N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide

N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (PubChem CID 55380975) has the molecular formula C27H21N5O2 and a molecular weight of 447.50 g/mol. Its IUPAC name is N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.

Molecular Properties

Compound NameN-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
PubChem CID55380975
Molecular FormulaC27H21N5O2
Molecular Weight447.50 g/mol
Exact Mass447.17
IUPAC NameN-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
SMILESCc1nc2ccccc2c2c(NC(=O)Cc3nn(C)c(=O)c4ccccc34)c3ccccc3n12
InChIInChI=1S/C27H21N5O2/c1-16-28-21-13-7-5-11-19(21)26-25(20-12-6-8-14-23(20)32(16)26)29-24(33)15-22-17-9-3-4-10-18(17)27(34)31(2)30-22/h3-14H,15H2,1-2H3,(H,29,33)
InChIKeyMVUOAJYSMDTJMN-UHFFFAOYSA-N
XLogP4.38
TPSA81.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.50
LogP ≤ 54.38
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)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 16561409
N-(2-hydroxyphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17400514
N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-[2-(2-oxoimidazolidin-1-yl)-1,3-thiazol-4-yl]acetamide
CID 55771246
methyl 5-acetyl-4-methyl-2-[2-[(6-methylindolo[1,2-c]quinazolin-12-yl)amino]-2-oxoethyl]-1H-pyrrole-3-carboxylate
CID 134012757
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-(3-benzoylphenyl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide
CID 17122264
2-(3-methyl-4-oxophthalazin-1-yl)-N-quinolin-5-ylacetamide
CID 646119
2-methyl-N-[4-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]propanamide
CID 30754178
2-(3-methyl-4-oxophthalazin-1-yl)-N-[2-oxo-2-(pyridin-3-ylamino)ethyl]acetamide
CID 51132977
N-[3-[[2-(3-methyl-4-oxophthalazin-1-yl)acetyl]amino]phenyl]benzamide
CID 55796721
N-(6-methylindolo[1,2-c]quinazolin-12-yl)-5-methylsulfonylfuran-2-carboxamide
CID 86944114

Frequently Asked Questions

What is the IUPAC name of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The IUPAC name of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide (CID 55380975) is N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide.
What is the SMILES notation for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The canonical SMILES for N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is Cc1nc2ccccc2c2c(NC(=O)Cc3nn(C)c(=O)c4ccccc34)c3ccccc3n12.
What is the InChIKey of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
The InChIKey is MVUOAJYSMDTJMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N5O2/c1-16-28-21-13-7-5-11-19(21)26-25(20-12-6-8-14-23(20)32(16)26)29-24(33)15-22-17-9-3-4-10-18(17)27(34)31(2)30-22/h3-14H,15H2,1-2H3,(H,29,33).
What are the key properties of N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide?
N-(6-methylindolo[1,2-c]quinazolin-12-yl)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide has a molecular weight of 447.50 g/mol, XLogP of 4.38, 3 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)-2-(3-methyl-4-oxophthalazin-1-yl)acetamide is sourced from PubChem (CID 55380975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).