ethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen

C21H23N3O3 — CID 169263796

IUPACethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen
SMILESCC.CC(=O)NCc1ccc2c(=O)n3c(nc2c1)C(=O)c1cc(C)ccc1-3.[H][H]
InChIInChI=1S/C19H15N3O3.C2H6.H2/c1-10-3-6-16-14(7-10)17(24)18-21-15-8-12(9-20-11(2)23)4-5-13(15)19(25)22(16)18;1-2;/h3-8H,9H2,1-2H3,(H,20,23);1-2H3;1H
InChIKeyVCEWWVUYLLDVNB-UHFFFAOYSA-N
MW365.43 g/mol
LogP3.15
Rot. Bonds2

About ethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen

ethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen (PubChem CID 169263796) has the molecular formula C21H23N3O3 and a molecular weight of 365.43 g/mol. Its IUPAC name is ethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen.

Molecular Properties

Compound Nameethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen
PubChem CID169263796
Molecular FormulaC21H23N3O3
Molecular Weight365.43 g/mol
Exact Mass365.17
IUPAC Nameethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen
SMILESCC.CC(=O)NCc1ccc2c(=O)n3c(nc2c1)C(=O)c1cc(C)ccc1-3.[H][H]
InChIInChI=1S/C19H15N3O3.C2H6.H2/c1-10-3-6-16-14(7-10)17(24)18-21-15-8-12(9-20-11(2)23)4-5-13(15)19(25)22(16)18;1-2;/h3-8H,9H2,1-2H3,(H,20,23);1-2H3;1H
InChIKeyVCEWWVUYLLDVNB-UHFFFAOYSA-N
XLogP3.15
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen with MolForge

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Related Compounds

butyl N-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]carbamate
CID 176765563
N-[(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]methanesulfinamide
CID 169263892
2-methyl-8-[(4-phenyltriazol-1-yl)methyl]indolo[2,1-b]quinazoline-6,12-dione
CID 123199900
8-benzylsulfanyl-3-fluoroindolo[2,1-b]quinazoline-6,12-dione
CID 169263906
(6E)-3-[(aminosulfanylamino)methyl]-8-fluoro-6-methoxyiminoindolo[2,1-b]quinazolin-12-one
CID 169263808
2,8-dibromoindolo[2,1-b]quinazoline-6,12-dione
CID 4576960
N-[[2-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-methylphenyl]methyl]acetamide
CID 155568129
14-iodo-2,5,10-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),4,6,11(16),12,14-heptaene-9,17-dione
CID 505836
2-[3-(2,4-dimethylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 2385342
3-(2,4-dimethylphenyl)-2-[(2Z)-2-(1-phenylethylidene)hydrazinyl]quinazolin-4-one
CID 8984212
2-(aminomethyl)-6,12-dioxoindolo[2,1-b]quinazoline-8-carbonitrile
CID 169263878
N-(8-fluoro-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)-N-[(2-methylpropan-2-yl)oxy]formamide
CID 57298992

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen?
The IUPAC name of ethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen (CID 169263796) is ethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen.
What is the SMILES notation for ethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen?
The canonical SMILES for ethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen is CC.CC(=O)NCc1ccc2c(=O)n3c(nc2c1)C(=O)c1cc(C)ccc1-3.[H][H].
What is the InChIKey of ethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen?
The InChIKey is VCEWWVUYLLDVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3.C2H6.H2/c1-10-3-6-16-14(7-10)17(24)18-21-15-8-12(9-20-11(2)23)4-5-13(15)19(25)22(16)18;1-2;/h3-8H,9H2,1-2H3,(H,20,23);1-2H3;1H.
What are the key properties of ethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen?
ethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen has a molecular weight of 365.43 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(8-methyl-6,12-dioxoindolo[2,1-b]quinazolin-3-yl)methyl]acetamide;molecular hydrogen is sourced from PubChem (CID 169263796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).