1H-pyrrolo[2,3-b]pyridin-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone

C24H18N4O — CID 44578022

IUPAC1H-pyrrolo[2,3-b]pyridin-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone
SMILESO=C(c1ccccc1NCc1ccc2ncccc2c1)c1c[nH]c2ncccc12
InChIInChI=1S/C24H18N4O/c29-23(20-15-28-24-18(20)7-4-12-26-24)19-6-1-2-8-22(19)27-14-16-9-10-21-17(13-16)5-3-11-25-21/h1-13,15,27H,14H2,(H,26,28)
InChIKeyGJVCAJSUCFLULK-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.95
Rot. Bonds5

About 1H-pyrrolo[2,3-b]pyridin-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone

1H-pyrrolo[2,3-b]pyridin-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone (PubChem CID 44578022) has the molecular formula C24H18N4O and a molecular weight of 378.44 g/mol. Its IUPAC name is 1H-pyrrolo[2,3-b]pyridin-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone.

Molecular Properties

Compound Name1H-pyrrolo[2,3-b]pyridin-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone
PubChem CID44578022
Molecular FormulaC24H18N4O
Molecular Weight378.44 g/mol
Exact Mass378.15
IUPAC Name1H-pyrrolo[2,3-b]pyridin-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone
SMILESO=C(c1ccccc1NCc1ccc2ncccc2c1)c1c[nH]c2ncccc12
InChIInChI=1S/C24H18N4O/c29-23(20-15-28-24-18(20)7-4-12-26-24)19-6-1-2-8-22(19)27-14-16-9-10-21-17(13-16)5-3-11-25-21/h1-13,15,27H,14H2,(H,26,28)
InChIKeyGJVCAJSUCFLULK-UHFFFAOYSA-N
XLogP4.95
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

2-(quinolin-6-ylmethylamino)benzoic acid
CID 63969915
bis(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 151992527
2-ethyl-N-(quinolin-6-ylmethyl)aniline
CID 28521209
(2-chlorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 43339358
phenyl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 10998603
1H-indol-3-yl-[2-(pyridin-4-ylmethylamino)phenyl]methanone
CID 44577794
2-methyl-N-(quinolin-6-ylmethyl)benzamide
CID 110472091
(2-chloro-3-pyridinyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506825
pyridin-2-yl(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 59506817
2,2-dimethyl-N-(quinolin-6-ylmethyl)propanamide
CID 110470774
6-chloro-4-(quinolin-6-ylmethylamino)pyridazine-3-carboxamide
CID 171090525
(2-chloro-3-fluorophenyl)-(1H-pyrrolo[2,3-b]pyridin-3-yl)methanone
CID 81453922

Frequently Asked Questions

What is the IUPAC name of 1H-pyrrolo[2,3-b]pyridin-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone?
The IUPAC name of 1H-pyrrolo[2,3-b]pyridin-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone (CID 44578022) is 1H-pyrrolo[2,3-b]pyridin-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone.
What is the SMILES notation for 1H-pyrrolo[2,3-b]pyridin-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone?
The canonical SMILES for 1H-pyrrolo[2,3-b]pyridin-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone is O=C(c1ccccc1NCc1ccc2ncccc2c1)c1c[nH]c2ncccc12.
What is the InChIKey of 1H-pyrrolo[2,3-b]pyridin-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone?
The InChIKey is GJVCAJSUCFLULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O/c29-23(20-15-28-24-18(20)7-4-12-26-24)19-6-1-2-8-22(19)27-14-16-9-10-21-17(13-16)5-3-11-25-21/h1-13,15,27H,14H2,(H,26,28).
What are the key properties of 1H-pyrrolo[2,3-b]pyridin-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone?
1H-pyrrolo[2,3-b]pyridin-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone has a molecular weight of 378.44 g/mol, XLogP of 4.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrolo[2,3-b]pyridin-3-yl-[2-(quinolin-6-ylmethylamino)phenyl]methanone is sourced from PubChem (CID 44578022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).