1-ethyl-7-methyl-4-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)-1,8-naphthyridine-3-carboxamide

C25H22N4O3 — CID 90579806

IUPAC1-ethyl-7-methyl-4-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCC#CCOc2cccc3cccnc23)c(=O)c2ccc(C)nc21
InChIInChI=1S/C25H22N4O3/c1-3-29-16-20(23(30)19-12-11-17(2)28-24(19)29)25(31)27-13-4-5-15-32-21-10-6-8-18-9-7-14-26-22(18)21/h6-12,14,16H,3,13,15H2,1-2H3,(H,27,31)
InChIKeyOFMKJOFLJBWRAK-UHFFFAOYSA-N
MW426.48 g/mol
LogP3.09
Rot. Bonds5

About 1-ethyl-7-methyl-4-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)-1,8-naphthyridine-3-carboxamide

1-ethyl-7-methyl-4-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)-1,8-naphthyridine-3-carboxamide (PubChem CID 90579806) has the molecular formula C25H22N4O3 and a molecular weight of 426.48 g/mol. Its IUPAC name is 1-ethyl-7-methyl-4-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-7-methyl-4-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)-1,8-naphthyridine-3-carboxamide
PubChem CID90579806
Molecular FormulaC25H22N4O3
Molecular Weight426.48 g/mol
Exact Mass426.17
IUPAC Name1-ethyl-7-methyl-4-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)-1,8-naphthyridine-3-carboxamide
SMILESCCn1cc(C(=O)NCC#CCOc2cccc3cccnc23)c(=O)c2ccc(C)nc21
InChIInChI=1S/C25H22N4O3/c1-3-29-16-20(23(30)19-12-11-17(2)28-24(19)29)25(31)27-13-4-5-15-32-21-10-6-8-18-9-7-14-26-22(18)21/h6-12,14,16H,3,13,15H2,1-2H3,(H,27,31)
InChIKeyOFMKJOFLJBWRAK-UHFFFAOYSA-N
XLogP3.09
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 1-ethyl-7-methyl-4-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)-1,8-naphthyridine-3-carboxamide with MolForge

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Related Compounds

1-ethyl-7-methyl-N-(4-naphthalen-1-yloxybut-2-ynyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 90578183
2-chloro-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579697
1-ethyl-7-methyl-4-oxo-N-propan-2-yl-1,8-naphthyridine-3-carboxamide
CID 53013742
1-ethyl-N-(3-hydroxypropyl)-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 11087497
1-ethyl-N-[(2R)-2-hydroxypropyl]-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 95074253
1-ethyl-7-methyl-N-(3-methylbutyl)-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4660897
3,4,5-trimethoxy-N-(4-quinolin-8-yloxybut-2-ynyl)benzamide
CID 90579692
1-ethyl-7-methyl-4-oxo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,8-naphthyridine-3-carboxamide
CID 121177750
N-(4-quinolin-8-yloxybut-2-ynyl)-3,5-bis(trifluoromethyl)benzamide
CID 90579722
N-(4-quinolin-8-yloxybut-2-ynyl)pentanamide
CID 90579647
N-[2-(3,4-diethoxyphenyl)ethyl]-1-ethyl-7-methyl-4-oxo-1,8-naphthyridine-3-carboxamide
CID 4285783
1-(4-quinolin-8-yloxybut-2-ynyl)-3-[2-(trifluoromethyl)phenyl]urea
CID 90579896

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-methyl-4-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 1-ethyl-7-methyl-4-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)-1,8-naphthyridine-3-carboxamide (CID 90579806) is 1-ethyl-7-methyl-4-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-ethyl-7-methyl-4-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 1-ethyl-7-methyl-4-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)-1,8-naphthyridine-3-carboxamide is CCn1cc(C(=O)NCC#CCOc2cccc3cccnc23)c(=O)c2ccc(C)nc21.
What is the InChIKey of 1-ethyl-7-methyl-4-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)-1,8-naphthyridine-3-carboxamide?
The InChIKey is OFMKJOFLJBWRAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O3/c1-3-29-16-20(23(30)19-12-11-17(2)28-24(19)29)25(31)27-13-4-5-15-32-21-10-6-8-18-9-7-14-26-22(18)21/h6-12,14,16H,3,13,15H2,1-2H3,(H,27,31).
What are the key properties of 1-ethyl-7-methyl-4-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)-1,8-naphthyridine-3-carboxamide?
1-ethyl-7-methyl-4-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)-1,8-naphthyridine-3-carboxamide has a molecular weight of 426.48 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-methyl-4-oxo-N-(4-quinolin-8-yloxybut-2-ynyl)-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 90579806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).