ethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone

C18H28N2O2 — CID 163384635

IUPACethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone
SMILESCC.CC.COc1ccc2c(c1)N=C1CCC(C(C)=O)N1C2
InChIInChI=1S/C14H16N2O2.2C2H6/c1-9(17)13-5-6-14-15-12-7-11(18-2)4-3-10(12)8-16(13)14;2*1-2/h3-4,7,13H,5-6,8H2,1-2H3;2*1-2H3
InChIKeyOSGMPEMMXJQKBB-UHFFFAOYSA-N
MW304.43 g/mol
LogP4.34
Rot. Bonds2

About ethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone

ethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone (PubChem CID 163384635) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is ethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone.

Molecular Properties

Compound Nameethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone
PubChem CID163384635
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nameethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone
SMILESCC.CC.COc1ccc2c(c1)N=C1CCC(C(C)=O)N1C2
InChIInChI=1S/C14H16N2O2.2C2H6/c1-9(17)13-5-6-14-15-12-7-11(18-2)4-3-10(12)8-16(13)14;2*1-2/h3-4,7,13H,5-6,8H2,1-2H3;2*1-2H3
InChIKeyOSGMPEMMXJQKBB-UHFFFAOYSA-N
XLogP4.34
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone?
The IUPAC name of ethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone (CID 163384635) is ethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone.
What is the SMILES notation for ethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone?
The canonical SMILES for ethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone is CC.CC.COc1ccc2c(c1)N=C1CCC(C(C)=O)N1C2.
What is the InChIKey of ethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone?
The InChIKey is OSGMPEMMXJQKBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2.2C2H6/c1-9(17)13-5-6-14-15-12-7-11(18-2)4-3-10(12)8-16(13)14;2*1-2/h3-4,7,13H,5-6,8H2,1-2H3;2*1-2H3.
What are the key properties of ethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone?
ethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone has a molecular weight of 304.43 g/mol, XLogP of 4.34, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-(6-methoxy-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-1-yl)ethanone is sourced from PubChem (CID 163384635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).