3-methoxy-5-(5-pyridin-4-yl-2-quinolin-5-yl-3H-pyrrol-4-yl)pyridin-2-amine

C24H19N5O — CID 161101816

IUPAC3-methoxy-5-(5-pyridin-4-yl-2-quinolin-5-yl-3H-pyrrol-4-yl)pyridin-2-amine
SMILESCOc1cc(C2=C(c3ccncc3)N=C(c3cccc4ncccc34)C2)cnc1N
InChIInChI=1S/C24H19N5O/c1-30-22-12-16(14-28-24(22)25)19-13-21(29-23(19)15-7-10-26-11-8-15)18-4-2-6-20-17(18)5-3-9-27-20/h2-12,14H,13H2,1H3,(H2,25,28)
InChIKeyUINMPKBKSVKYEB-UHFFFAOYSA-N
MW393.45 g/mol
LogP4.38
Rot. Bonds4

About 3-methoxy-5-(5-pyridin-4-yl-2-quinolin-5-yl-3H-pyrrol-4-yl)pyridin-2-amine

3-methoxy-5-(5-pyridin-4-yl-2-quinolin-5-yl-3H-pyrrol-4-yl)pyridin-2-amine (PubChem CID 161101816) has the molecular formula C24H19N5O and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-methoxy-5-(5-pyridin-4-yl-2-quinolin-5-yl-3H-pyrrol-4-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-methoxy-5-(5-pyridin-4-yl-2-quinolin-5-yl-3H-pyrrol-4-yl)pyridin-2-amine
PubChem CID161101816
Molecular FormulaC24H19N5O
Molecular Weight393.45 g/mol
Exact Mass393.16
IUPAC Name3-methoxy-5-(5-pyridin-4-yl-2-quinolin-5-yl-3H-pyrrol-4-yl)pyridin-2-amine
SMILESCOc1cc(C2=C(c3ccncc3)N=C(c3cccc4ncccc34)C2)cnc1N
InChIInChI=1S/C24H19N5O/c1-30-22-12-16(14-28-24(22)25)19-13-21(29-23(19)15-7-10-26-11-8-15)18-4-2-6-20-17(18)5-3-9-27-20/h2-12,14H,13H2,1H3,(H2,25,28)
InChIKeyUINMPKBKSVKYEB-UHFFFAOYSA-N
XLogP4.38
TPSA86.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-5-(5-pyridin-4-yl-2-quinolin-5-yl-3H-pyrrol-4-yl)pyridin-2-amine?
The IUPAC name of 3-methoxy-5-(5-pyridin-4-yl-2-quinolin-5-yl-3H-pyrrol-4-yl)pyridin-2-amine (CID 161101816) is 3-methoxy-5-(5-pyridin-4-yl-2-quinolin-5-yl-3H-pyrrol-4-yl)pyridin-2-amine.
What is the SMILES notation for 3-methoxy-5-(5-pyridin-4-yl-2-quinolin-5-yl-3H-pyrrol-4-yl)pyridin-2-amine?
The canonical SMILES for 3-methoxy-5-(5-pyridin-4-yl-2-quinolin-5-yl-3H-pyrrol-4-yl)pyridin-2-amine is COc1cc(C2=C(c3ccncc3)N=C(c3cccc4ncccc34)C2)cnc1N.
What is the InChIKey of 3-methoxy-5-(5-pyridin-4-yl-2-quinolin-5-yl-3H-pyrrol-4-yl)pyridin-2-amine?
The InChIKey is UINMPKBKSVKYEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19N5O/c1-30-22-12-16(14-28-24(22)25)19-13-21(29-23(19)15-7-10-26-11-8-15)18-4-2-6-20-17(18)5-3-9-27-20/h2-12,14H,13H2,1H3,(H2,25,28).
What are the key properties of 3-methoxy-5-(5-pyridin-4-yl-2-quinolin-5-yl-3H-pyrrol-4-yl)pyridin-2-amine?
3-methoxy-5-(5-pyridin-4-yl-2-quinolin-5-yl-3H-pyrrol-4-yl)pyridin-2-amine has a molecular weight of 393.45 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-5-(5-pyridin-4-yl-2-quinolin-5-yl-3H-pyrrol-4-yl)pyridin-2-amine is sourced from PubChem (CID 161101816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).