2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one

C16H18N2O — CID 20996268

IUPAC2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one
SMILESCc1ccc2cc3c(nc2c1)N(C(=O)C(C)C)CC3
InChIInChI=1S/C16H18N2O/c1-10(2)16(19)18-7-6-13-9-12-5-4-11(3)8-14(12)17-15(13)18/h4-5,8-10H,6-7H2,1-3H3
InChIKeyLJNCVDKLXPOARU-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.09
Rot. Bonds1

About 2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one

2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one (PubChem CID 20996268) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one
PubChem CID20996268
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one
SMILESCc1ccc2cc3c(nc2c1)N(C(=O)C(C)C)CC3
InChIInChI=1S/C16H18N2O/c1-10(2)16(19)18-7-6-13-9-12-5-4-11(3)8-14(12)17-15(13)18/h4-5,8-10H,6-7H2,1-3H3
InChIKeyLJNCVDKLXPOARU-UHFFFAOYSA-N
XLogP3.09
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one?
The IUPAC name of 2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one (CID 20996268) is 2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one.
What is the SMILES notation for 2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one?
The canonical SMILES for 2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one is Cc1ccc2cc3c(nc2c1)N(C(=O)C(C)C)CC3.
What is the InChIKey of 2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one?
The InChIKey is LJNCVDKLXPOARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-10(2)16(19)18-7-6-13-9-12-5-4-11(3)8-14(12)17-15(13)18/h4-5,8-10H,6-7H2,1-3H3.
What are the key properties of 2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one?
2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one has a molecular weight of 254.33 g/mol, XLogP of 3.09, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-methyl-2,3-dihydropyrrolo[2,3-b]quinolin-1-yl)propan-1-one is sourced from PubChem (CID 20996268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).