2-methoxy-5-[4-[6-(propan-2-yloxymethyl)-3-pyridinyl]quinolin-6-yl]pyridin-3-amine

C24H24N4O2 — CID 171768227

IUPAC2-methoxy-5-[4-[6-(propan-2-yloxymethyl)-3-pyridinyl]quinolin-6-yl]pyridin-3-amine
SMILESCOc1ncc(-c2ccc3nccc(-c4ccc(COC(C)C)nc4)c3c2)cc1N
InChIInChI=1S/C24H24N4O2/c1-15(2)30-14-19-6-4-17(12-27-19)20-8-9-26-23-7-5-16(10-21(20)23)18-11-22(25)24(29-3)28-13-18/h4-13,15H,14,25H2,1-3H3
InChIKeyFBXOVATXRPNKRZ-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.87
Rot. Bonds6

About 2-methoxy-5-[4-[6-(propan-2-yloxymethyl)-3-pyridinyl]quinolin-6-yl]pyridin-3-amine

2-methoxy-5-[4-[6-(propan-2-yloxymethyl)-3-pyridinyl]quinolin-6-yl]pyridin-3-amine (PubChem CID 171768227) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-methoxy-5-[4-[6-(propan-2-yloxymethyl)-3-pyridinyl]quinolin-6-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-methoxy-5-[4-[6-(propan-2-yloxymethyl)-3-pyridinyl]quinolin-6-yl]pyridin-3-amine
PubChem CID171768227
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-methoxy-5-[4-[6-(propan-2-yloxymethyl)-3-pyridinyl]quinolin-6-yl]pyridin-3-amine
SMILESCOc1ncc(-c2ccc3nccc(-c4ccc(COC(C)C)nc4)c3c2)cc1N
InChIInChI=1S/C24H24N4O2/c1-15(2)30-14-19-6-4-17(12-27-19)20-8-9-26-23-7-5-16(10-21(20)23)18-11-22(25)24(29-3)28-13-18/h4-13,15H,14,25H2,1-3H3
InChIKeyFBXOVATXRPNKRZ-UHFFFAOYSA-N
XLogP4.87
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-[4-[6-(propan-2-yloxymethyl)-3-pyridinyl]quinolin-6-yl]pyridin-3-amine?
The IUPAC name of 2-methoxy-5-[4-[6-(propan-2-yloxymethyl)-3-pyridinyl]quinolin-6-yl]pyridin-3-amine (CID 171768227) is 2-methoxy-5-[4-[6-(propan-2-yloxymethyl)-3-pyridinyl]quinolin-6-yl]pyridin-3-amine.
What is the SMILES notation for 2-methoxy-5-[4-[6-(propan-2-yloxymethyl)-3-pyridinyl]quinolin-6-yl]pyridin-3-amine?
The canonical SMILES for 2-methoxy-5-[4-[6-(propan-2-yloxymethyl)-3-pyridinyl]quinolin-6-yl]pyridin-3-amine is COc1ncc(-c2ccc3nccc(-c4ccc(COC(C)C)nc4)c3c2)cc1N.
What is the InChIKey of 2-methoxy-5-[4-[6-(propan-2-yloxymethyl)-3-pyridinyl]quinolin-6-yl]pyridin-3-amine?
The InChIKey is FBXOVATXRPNKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-15(2)30-14-19-6-4-17(12-27-19)20-8-9-26-23-7-5-16(10-21(20)23)18-11-22(25)24(29-3)28-13-18/h4-13,15H,14,25H2,1-3H3.
What are the key properties of 2-methoxy-5-[4-[6-(propan-2-yloxymethyl)-3-pyridinyl]quinolin-6-yl]pyridin-3-amine?
2-methoxy-5-[4-[6-(propan-2-yloxymethyl)-3-pyridinyl]quinolin-6-yl]pyridin-3-amine has a molecular weight of 400.48 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-[4-[6-(propan-2-yloxymethyl)-3-pyridinyl]quinolin-6-yl]pyridin-3-amine is sourced from PubChem (CID 171768227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).