methanol;[3-[6-(6-methoxycyclohepta-1,3,5-trien-1-yl)-5,8-dihydro-1,8-naphthyridin-3-yl]phenyl]-morpholin-4-ylmethanone

C28H31N3O4 — CID 143540298

IUPACmethanol;[3-[6-(6-methoxycyclohepta-1,3,5-trien-1-yl)-5,8-dihydro-1,8-naphthyridin-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESCO.COC1=CC=CC=C(C2=CNc3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cc3C2)C1
InChIInChI=1S/C27H27N3O3.CH4O/c1-32-25-8-3-2-5-20(16-25)24-15-22-14-23(17-28-26(22)29-18-24)19-6-4-7-21(13-19)27(31)30-9-11-33-12-10-30;1-2/h2-8,13-14,17-18H,9-12,15-16H2,1H3,(H,28,29);2H,1H3
InChIKeyJYDYSVUZGNPZHC-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.10
Rot. Bonds4

About methanol;[3-[6-(6-methoxycyclohepta-1,3,5-trien-1-yl)-5,8-dihydro-1,8-naphthyridin-3-yl]phenyl]-morpholin-4-ylmethanone

methanol;[3-[6-(6-methoxycyclohepta-1,3,5-trien-1-yl)-5,8-dihydro-1,8-naphthyridin-3-yl]phenyl]-morpholin-4-ylmethanone (PubChem CID 143540298) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is methanol;[3-[6-(6-methoxycyclohepta-1,3,5-trien-1-yl)-5,8-dihydro-1,8-naphthyridin-3-yl]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Namemethanol;[3-[6-(6-methoxycyclohepta-1,3,5-trien-1-yl)-5,8-dihydro-1,8-naphthyridin-3-yl]phenyl]-morpholin-4-ylmethanone
PubChem CID143540298
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Namemethanol;[3-[6-(6-methoxycyclohepta-1,3,5-trien-1-yl)-5,8-dihydro-1,8-naphthyridin-3-yl]phenyl]-morpholin-4-ylmethanone
SMILESCO.COC1=CC=CC=C(C2=CNc3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cc3C2)C1
InChIInChI=1S/C27H27N3O3.CH4O/c1-32-25-8-3-2-5-20(16-25)24-15-22-14-23(17-28-26(22)29-18-24)19-6-4-7-21(13-19)27(31)30-9-11-33-12-10-30;1-2/h2-8,13-14,17-18H,9-12,15-16H2,1H3,(H,28,29);2H,1H3
InChIKeyJYDYSVUZGNPZHC-UHFFFAOYSA-N
XLogP4.10
TPSA83.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methanol;[3-[6-(6-methoxycyclohepta-1,3,5-trien-1-yl)-5,8-dihydro-1,8-naphthyridin-3-yl]phenyl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

[3-[3-(5-chloro-2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59699915
[3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 91832951
[3-(4-hydroxyphenyl)phenyl]-morpholin-4-ylmethanone
CID 2428040
[3-(2,6-dimethoxyphenyl)-5-[3-(morpholine-4-carbonyl)phenyl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
CID 143540455
[3-[3-(2,3-dihydro-1H-indol-6-yl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 70840387
[3-[3-(2-ethylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 59836037
morpholin-4-yl-[3-(3-pyrimidin-5-yl-1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]methanone
CID 59699864
[3-[6-[(2E)-2-[(2,4-dimethoxypyrimidin-5-yl)methylidene]hydrazinyl]-3-pyridinyl]phenyl]-morpholin-4-ylmethanone
CID 143178939
fluoromethane;3-[5-[3-(morpholine-4-carbonyl)phenyl]-2H-pyrazolo[3,4-b]pyridin-3-yl]benzonitrile
CID 143178956
morpholin-4-yl-(3-morpholin-4-ylphenyl)methanone
CID 22057964
morpholin-4-yl-[3-(2H-tetrazol-5-yl)phenyl]methanone
CID 60667374
[3-[3-(2-ethoxy-4-methylphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-morpholin-4-ylmethanone
CID 70960684

Frequently Asked Questions

What is the IUPAC name of methanol;[3-[6-(6-methoxycyclohepta-1,3,5-trien-1-yl)-5,8-dihydro-1,8-naphthyridin-3-yl]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of methanol;[3-[6-(6-methoxycyclohepta-1,3,5-trien-1-yl)-5,8-dihydro-1,8-naphthyridin-3-yl]phenyl]-morpholin-4-ylmethanone (CID 143540298) is methanol;[3-[6-(6-methoxycyclohepta-1,3,5-trien-1-yl)-5,8-dihydro-1,8-naphthyridin-3-yl]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for methanol;[3-[6-(6-methoxycyclohepta-1,3,5-trien-1-yl)-5,8-dihydro-1,8-naphthyridin-3-yl]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for methanol;[3-[6-(6-methoxycyclohepta-1,3,5-trien-1-yl)-5,8-dihydro-1,8-naphthyridin-3-yl]phenyl]-morpholin-4-ylmethanone is CO.COC1=CC=CC=C(C2=CNc3ncc(-c4cccc(C(=O)N5CCOCC5)c4)cc3C2)C1.
What is the InChIKey of methanol;[3-[6-(6-methoxycyclohepta-1,3,5-trien-1-yl)-5,8-dihydro-1,8-naphthyridin-3-yl]phenyl]-morpholin-4-ylmethanone?
The InChIKey is JYDYSVUZGNPZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N3O3.CH4O/c1-32-25-8-3-2-5-20(16-25)24-15-22-14-23(17-28-26(22)29-18-24)19-6-4-7-21(13-19)27(31)30-9-11-33-12-10-30;1-2/h2-8,13-14,17-18H,9-12,15-16H2,1H3,(H,28,29);2H,1H3.
What are the key properties of methanol;[3-[6-(6-methoxycyclohepta-1,3,5-trien-1-yl)-5,8-dihydro-1,8-naphthyridin-3-yl]phenyl]-morpholin-4-ylmethanone?
methanol;[3-[6-(6-methoxycyclohepta-1,3,5-trien-1-yl)-5,8-dihydro-1,8-naphthyridin-3-yl]phenyl]-morpholin-4-ylmethanone has a molecular weight of 473.57 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;[3-[6-(6-methoxycyclohepta-1,3,5-trien-1-yl)-5,8-dihydro-1,8-naphthyridin-3-yl]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 143540298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).