[4-[2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-4-fluoroquinolin-3-yl]phenyl]-morpholin-4-ylmethanone

C26H24FN5O3 — CID 66807043

IUPAC[4-[2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-4-fluoroquinolin-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ncc(-c2ccc3nc(N)c(-c4ccc(C(=O)N5CCOCC5)cc4)c(F)c3c2)cc1N
InChIInChI=1S/C26H24FN5O3/c1-34-25-20(28)13-18(14-30-25)17-6-7-21-19(12-17)23(27)22(24(29)31-21)15-2-4-16(5-3-15)26(33)32-8-10-35-11-9-32/h2-7,12-14H,8-11,28H2,1H3,(H2,29,31)
InChIKeyNVEQPLOLKCSMTO-UHFFFAOYSA-N
MW473.51 g/mol
LogP3.75
Rot. Bonds4

About [4-[2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-4-fluoroquinolin-3-yl]phenyl]-morpholin-4-ylmethanone

[4-[2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-4-fluoroquinolin-3-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 66807043) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is [4-[2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-4-fluoroquinolin-3-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-4-fluoroquinolin-3-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID66807043
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Name[4-[2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-4-fluoroquinolin-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESCOc1ncc(-c2ccc3nc(N)c(-c4ccc(C(=O)N5CCOCC5)cc4)c(F)c3c2)cc1N
InChIInChI=1S/C26H24FN5O3/c1-34-25-20(28)13-18(14-30-25)17-6-7-21-19(12-17)23(27)22(24(29)31-21)15-2-4-16(5-3-15)26(33)32-8-10-35-11-9-32/h2-7,12-14H,8-11,28H2,1H3,(H2,29,31)
InChIKeyNVEQPLOLKCSMTO-UHFFFAOYSA-N
XLogP3.75
TPSA116.59 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-4-fluoroquinolin-3-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-4-fluoroquinolin-3-yl]phenyl]-morpholin-4-ylmethanone (CID 66807043) is [4-[2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-4-fluoroquinolin-3-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-4-fluoroquinolin-3-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-4-fluoroquinolin-3-yl]phenyl]-morpholin-4-ylmethanone is COc1ncc(-c2ccc3nc(N)c(-c4ccc(C(=O)N5CCOCC5)cc4)c(F)c3c2)cc1N.
What is the InChIKey of [4-[2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-4-fluoroquinolin-3-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is NVEQPLOLKCSMTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3/c1-34-25-20(28)13-18(14-30-25)17-6-7-21-19(12-17)23(27)22(24(29)31-21)15-2-4-16(5-3-15)26(33)32-8-10-35-11-9-32/h2-7,12-14H,8-11,28H2,1H3,(H2,29,31).
What are the key properties of [4-[2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-4-fluoroquinolin-3-yl]phenyl]-morpholin-4-ylmethanone?
[4-[2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-4-fluoroquinolin-3-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 473.51 g/mol, XLogP of 3.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-amino-6-(5-amino-6-methoxy-3-pyridinyl)-4-fluoroquinolin-3-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 66807043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).