1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide

C19H15ClN4O2 — CID 135354663

IUPAC1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ccc2c(n1)c(C(N)=O)cn2Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C19H15ClN4O2/c1-26-17-5-4-16-18(23-17)14(19(21)25)10-24(16)9-11-2-3-15-12(6-11)7-13(20)8-22-15/h2-8,10H,9H2,1H3,(H2,21,25)
InChIKeyDMUDKJFYQRRPLH-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.39
Rot. Bonds4

About 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide

1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide (PubChem CID 135354663) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
PubChem CID135354663
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide
SMILESCOc1ccc2c(n1)c(C(N)=O)cn2Cc1ccc2ncc(Cl)cc2c1
InChIInChI=1S/C19H15ClN4O2/c1-26-17-5-4-16-18(23-17)14(19(21)25)10-24(16)9-11-2-3-15-12(6-11)7-13(20)8-22-15/h2-8,10H,9H2,1H3,(H2,21,25)
InChIKeyDMUDKJFYQRRPLH-UHFFFAOYSA-N
XLogP3.39
TPSA83.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
The IUPAC name of 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide (CID 135354663) is 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide is COc1ccc2c(n1)c(C(N)=O)cn2Cc1ccc2ncc(Cl)cc2c1.
What is the InChIKey of 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
The InChIKey is DMUDKJFYQRRPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-26-17-5-4-16-18(23-17)14(19(21)25)10-24(16)9-11-2-3-15-12(6-11)7-13(20)8-22-15/h2-8,10H,9H2,1H3,(H2,21,25).
What are the key properties of 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide?
1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide has a molecular weight of 366.81 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloroquinolin-6-yl)methyl]-5-methoxypyrrolo[3,2-b]pyridine-3-carboxamide is sourced from PubChem (CID 135354663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).