1-[4-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-7-yl]imidazolidin-2-one

C20H17N5O — CID 169421839

IUPAC1-[4-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-7-yl]imidazolidin-2-one
SMILESCc1cc(-c2c[nH]c3ncccc23)nc2cc(N3CCNC3=O)ccc12
InChIInChI=1S/C20H17N5O/c1-12-9-17(16-11-23-19-15(16)3-2-6-21-19)24-18-10-13(4-5-14(12)18)25-8-7-22-20(25)26/h2-6,9-11H,7-8H2,1H3,(H,21,23)(H,22,26)
InChIKeyXDTJMPDWOCJMKV-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.62
Rot. Bonds2

About 1-[4-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-7-yl]imidazolidin-2-one

1-[4-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-7-yl]imidazolidin-2-one (PubChem CID 169421839) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-[4-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-7-yl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-7-yl]imidazolidin-2-one
PubChem CID169421839
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name1-[4-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-7-yl]imidazolidin-2-one
SMILESCc1cc(-c2c[nH]c3ncccc23)nc2cc(N3CCNC3=O)ccc12
InChIInChI=1S/C20H17N5O/c1-12-9-17(16-11-23-19-15(16)3-2-6-21-19)24-18-10-13(4-5-14(12)18)25-8-7-22-20(25)26/h2-6,9-11H,7-8H2,1H3,(H,21,23)(H,22,26)
InChIKeyXDTJMPDWOCJMKV-UHFFFAOYSA-N
XLogP3.62
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-7-yl]imidazolidin-2-one?
The IUPAC name of 1-[4-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-7-yl]imidazolidin-2-one (CID 169421839) is 1-[4-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-7-yl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-7-yl]imidazolidin-2-one?
The canonical SMILES for 1-[4-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-7-yl]imidazolidin-2-one is Cc1cc(-c2c[nH]c3ncccc23)nc2cc(N3CCNC3=O)ccc12.
What is the InChIKey of 1-[4-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-7-yl]imidazolidin-2-one?
The InChIKey is XDTJMPDWOCJMKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-12-9-17(16-11-23-19-15(16)3-2-6-21-19)24-18-10-13(4-5-14(12)18)25-8-7-22-20(25)26/h2-6,9-11H,7-8H2,1H3,(H,21,23)(H,22,26).
What are the key properties of 1-[4-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-7-yl]imidazolidin-2-one?
1-[4-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-7-yl]imidazolidin-2-one has a molecular weight of 343.39 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)quinolin-7-yl]imidazolidin-2-one is sourced from PubChem (CID 169421839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).