methyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-phenylpropanoate

C22H23N3O4 — CID 85081023

IUPACmethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-phenylpropanoate
SMILESCCn1cc(C(=O)NC(Cc2ccccc2)C(=O)OC)c(=O)c2ccc(C)nc21
InChIInChI=1S/C22H23N3O4/c1-4-25-13-17(19(26)16-11-10-14(2)23-20(16)25)21(27)24-18(22(28)29-3)12-15-8-6-5-7-9-15/h5-11,13,18H,4,12H2,1-3H3,(H,24,27)
InChIKeyQHIZVSRFZSYRGD-UHFFFAOYSA-N
MW393.44 g/mol
LogP2.24
Rot. Bonds6

About methyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-phenylpropanoate

methyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-phenylpropanoate (PubChem CID 85081023) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is methyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-phenylpropanoate
PubChem CID85081023
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC Namemethyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-phenylpropanoate
SMILESCCn1cc(C(=O)NC(Cc2ccccc2)C(=O)OC)c(=O)c2ccc(C)nc21
InChIInChI=1S/C22H23N3O4/c1-4-25-13-17(19(26)16-11-10-14(2)23-20(16)25)21(27)24-18(22(28)29-3)12-15-8-6-5-7-9-15/h5-11,13,18H,4,12H2,1-3H3,(H,24,27)
InChIKeyQHIZVSRFZSYRGD-UHFFFAOYSA-N
XLogP2.24
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[1-[(2-hydroxy-1H-indol-3-yl)diazenyl]-1-oxo-3-phenylpropan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 137274643
(2R)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-4-methylsulfanylbutanoic acid
CID 39847119
1-ethyl-N-[1-[[1-[(2E)-2-[1-(4-methoxyphenyl)ethylidene]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 177420731
N-(2-benzylphenyl)-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 2083370
1-ethyl-N-[(2S,3S)-1-hydroxy-3-methylpentan-2-yl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 100907336
methyl (2S)-2-[(5-ethyl-8-oxo-[1,3]dioxolo[4,5-g]quinoline-7-carbonyl)amino]-3-phenylpropanoate
CID 56698811
1-ethyl-N-[1-(4-fluorophenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 53087103
1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660897
1-ethyl-N-[(2R)-2-hydroxypropyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 95074253
N-[(3,5-dimethoxyphenyl)methyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 1457746
1-[[(2S)-2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]propanoyl]amino]ethylphosphonic acid
CID 15581206
1-ethyl-N-(1-hydroxy-4-methylsulfanylbutan-2-yl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 91640816

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-phenylpropanoate (CID 85081023) is methyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-phenylpropanoate is CCn1cc(C(=O)NC(Cc2ccccc2)C(=O)OC)c(=O)c2ccc(C)nc21.
What is the InChIKey of methyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-phenylpropanoate?
The InChIKey is QHIZVSRFZSYRGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-4-25-13-17(19(26)16-11-10-14(2)23-20(16)25)21(27)24-18(22(28)29-3)12-15-8-6-5-7-9-15/h5-11,13,18H,4,12H2,1-3H3,(H,24,27).
What are the key properties of methyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-phenylpropanoate?
methyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-phenylpropanoate has a molecular weight of 393.44 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carbonyl)amino]-3-phenylpropanoate is sourced from PubChem (CID 85081023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).