1-(7-methoxy-3H-pyrrolo[2,3-c]quinolin-4-yl)-2,3-dihydroquinolin-4-one

C21H17N3O2 — CID 53376119

IUPAC1-(7-methoxy-3H-pyrrolo[2,3-c]quinolin-4-yl)-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)nc(N1CCC(=O)c3ccccc31)c1[nH]ccc12
InChIInChI=1S/C21H17N3O2/c1-26-13-6-7-14-15-8-10-22-20(15)21(23-17(14)12-13)24-11-9-19(25)16-4-2-3-5-18(16)24/h2-8,10,12,22H,9,11H2,1H3
InChIKeyUNLUSXRQCZYYJL-UHFFFAOYSA-N
MW343.39 g/mol
LogP4.45
Rot. Bonds2

About 1-(7-methoxy-3H-pyrrolo[2,3-c]quinolin-4-yl)-2,3-dihydroquinolin-4-one

1-(7-methoxy-3H-pyrrolo[2,3-c]quinolin-4-yl)-2,3-dihydroquinolin-4-one (PubChem CID 53376119) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 1-(7-methoxy-3H-pyrrolo[2,3-c]quinolin-4-yl)-2,3-dihydroquinolin-4-one.

Molecular Properties

Compound Name1-(7-methoxy-3H-pyrrolo[2,3-c]quinolin-4-yl)-2,3-dihydroquinolin-4-one
PubChem CID53376119
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name1-(7-methoxy-3H-pyrrolo[2,3-c]quinolin-4-yl)-2,3-dihydroquinolin-4-one
SMILESCOc1ccc2c(c1)nc(N1CCC(=O)c3ccccc31)c1[nH]ccc12
InChIInChI=1S/C21H17N3O2/c1-26-13-6-7-14-15-8-10-22-20(15)21(23-17(14)12-13)24-11-9-19(25)16-4-2-3-5-18(16)24/h2-8,10,12,22H,9,11H2,1H3
InChIKeyUNLUSXRQCZYYJL-UHFFFAOYSA-N
XLogP4.45
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methoxy-3H-pyrrolo[2,3-c]quinolin-4-yl)-2,3-dihydroquinolin-4-one?
The IUPAC name of 1-(7-methoxy-3H-pyrrolo[2,3-c]quinolin-4-yl)-2,3-dihydroquinolin-4-one (CID 53376119) is 1-(7-methoxy-3H-pyrrolo[2,3-c]quinolin-4-yl)-2,3-dihydroquinolin-4-one.
What is the SMILES notation for 1-(7-methoxy-3H-pyrrolo[2,3-c]quinolin-4-yl)-2,3-dihydroquinolin-4-one?
The canonical SMILES for 1-(7-methoxy-3H-pyrrolo[2,3-c]quinolin-4-yl)-2,3-dihydroquinolin-4-one is COc1ccc2c(c1)nc(N1CCC(=O)c3ccccc31)c1[nH]ccc12.
What is the InChIKey of 1-(7-methoxy-3H-pyrrolo[2,3-c]quinolin-4-yl)-2,3-dihydroquinolin-4-one?
The InChIKey is UNLUSXRQCZYYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-26-13-6-7-14-15-8-10-22-20(15)21(23-17(14)12-13)24-11-9-19(25)16-4-2-3-5-18(16)24/h2-8,10,12,22H,9,11H2,1H3.
What are the key properties of 1-(7-methoxy-3H-pyrrolo[2,3-c]quinolin-4-yl)-2,3-dihydroquinolin-4-one?
1-(7-methoxy-3H-pyrrolo[2,3-c]quinolin-4-yl)-2,3-dihydroquinolin-4-one has a molecular weight of 343.39 g/mol, XLogP of 4.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methoxy-3H-pyrrolo[2,3-c]quinolin-4-yl)-2,3-dihydroquinolin-4-one is sourced from PubChem (CID 53376119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).