3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide

C20H20N2O7 — CID 91637940

IUPAC3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCOCc1cc(=O)c(O)c(C(CC(N)=O)c2cc3ccc(OC)cc3[nH]c2=O)o1
InChIInChI=1S/C20H20N2O7/c1-27-9-12-7-16(23)18(25)19(29-12)13(8-17(21)24)14-5-10-3-4-11(28-2)6-15(10)22-20(14)26/h3-7,13,25H,8-9H2,1-2H3,(H2,21,24)(H,22,26)
InChIKeyPOROBQQFKMIHNR-UHFFFAOYSA-N
MW400.39 g/mol
LogP1.35
Rot. Bonds7

About 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide

3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide (PubChem CID 91637940) has the molecular formula C20H20N2O7 and a molecular weight of 400.39 g/mol. Its IUPAC name is 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide.

Molecular Properties

Compound Name3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
PubChem CID91637940
Molecular FormulaC20H20N2O7
Molecular Weight400.39 g/mol
Exact Mass400.13
IUPAC Name3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide
SMILESCOCc1cc(=O)c(O)c(C(CC(N)=O)c2cc3ccc(OC)cc3[nH]c2=O)o1
InChIInChI=1S/C20H20N2O7/c1-27-9-12-7-16(23)18(25)19(29-12)13(8-17(21)24)14-5-10-3-4-11(28-2)6-15(10)22-20(14)26/h3-7,13,25H,8-9H2,1-2H3,(H2,21,24)(H,22,26)
InChIKeyPOROBQQFKMIHNR-UHFFFAOYSA-N
XLogP1.35
TPSA144.85 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-[(1R)-1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-7-methoxy-1H-quinolin-2-one
CID 97489168
(3R)-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanamide
CID 99990847
(3S)-3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide
CID 99994131
3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-3-(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)propanamide
CID 91641112
3-[1-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-morpholin-4-yl-3-oxopropyl]-1H-quinolin-2-one
CID 75491311
methyl (3R)-3-[6-[[(1R)-6,7-dimethoxy-1-(3,4,5-trimethoxyphenyl)-3,4-dihydro-1H-isoquinolin-2-yl]methyl]-3-hydroxy-4-oxopyran-2-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanoate
CID 124917743
3-[3-hydroxy-4-oxo-6-(piperidin-1-ylmethyl)pyran-2-yl]-3-(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)propanamide
CID 110206270
methyl 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanoate
CID 71827297
3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(2,3,4-trimethoxyphenyl)propanamide
CID 91637148
methyl (3S)-3-(3-hydroxy-6-methyl-4-oxopyran-2-yl)-3-(7-oxo-3,6-dihydro-2H-[1,4]dioxino[2,3-g]quinolin-8-yl)propanoate
CID 97423920
(3S)-3-[3-hydroxy-6-(morpholin-4-ylmethyl)-4-oxopyran-2-yl]-3-(6-methoxy-4-oxochromen-3-yl)propanamide
CID 124879047
methyl (3R)-3-[3-hydroxy-4-oxo-6-[[(1S,9R)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-11-yl]methyl]pyran-2-yl]-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)propanoate
CID 100627034

Frequently Asked Questions

What is the IUPAC name of 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The IUPAC name of 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide (CID 91637940) is 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide.
What is the SMILES notation for 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The canonical SMILES for 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide is COCc1cc(=O)c(O)c(C(CC(N)=O)c2cc3ccc(OC)cc3[nH]c2=O)o1.
What is the InChIKey of 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
The InChIKey is POROBQQFKMIHNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O7/c1-27-9-12-7-16(23)18(25)19(29-12)13(8-17(21)24)14-5-10-3-4-11(28-2)6-15(10)22-20(14)26/h3-7,13,25H,8-9H2,1-2H3,(H2,21,24)(H,22,26).
What are the key properties of 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide?
3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide has a molecular weight of 400.39 g/mol, XLogP of 1.35, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-hydroxy-6-(methoxymethyl)-4-oxopyran-2-yl]-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)propanamide is sourced from PubChem (CID 91637940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).