7-bromo-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-2-ethyl-1,5-naphthyridine-3-carboxylic acid

C20H27BrN4O3 — CID 67948873

IUPAC7-bromo-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-2-ethyl-1,5-naphthyridine-3-carboxylic acid
SMILESCCCN(CCC)C(=O)C(C)Nc1c(C(=O)O)c(CC)nc2cc(Br)cnc12
InChIInChI=1S/C20H27BrN4O3/c1-5-8-25(9-6-2)19(26)12(4)23-18-16(20(27)28)14(7-3)24-15-10-13(21)11-22-17(15)18/h10-12H,5-9H2,1-4H3,(H,23,24)(H,27,28)
InChIKeyQQZVKYQBWNXABB-UHFFFAOYSA-N
MW451.37 g/mol
LogP4.10
Rot. Bonds9

About 7-bromo-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-2-ethyl-1,5-naphthyridine-3-carboxylic acid

7-bromo-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-2-ethyl-1,5-naphthyridine-3-carboxylic acid (PubChem CID 67948873) has the molecular formula C20H27BrN4O3 and a molecular weight of 451.37 g/mol. Its IUPAC name is 7-bromo-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-2-ethyl-1,5-naphthyridine-3-carboxylic acid.

Molecular Properties

Compound Name7-bromo-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-2-ethyl-1,5-naphthyridine-3-carboxylic acid
PubChem CID67948873
Molecular FormulaC20H27BrN4O3
Molecular Weight451.37 g/mol
Exact Mass450.13
IUPAC Name7-bromo-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-2-ethyl-1,5-naphthyridine-3-carboxylic acid
SMILESCCCN(CCC)C(=O)C(C)Nc1c(C(=O)O)c(CC)nc2cc(Br)cnc12
InChIInChI=1S/C20H27BrN4O3/c1-5-8-25(9-6-2)19(26)12(4)23-18-16(20(27)28)14(7-3)24-15-10-13(21)11-22-17(15)18/h10-12H,5-9H2,1-4H3,(H,23,24)(H,27,28)
InChIKeyQQZVKYQBWNXABB-UHFFFAOYSA-N
XLogP4.10
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.37
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 7-bromo-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-2-ethyl-1,5-naphthyridine-3-carboxylic acid with MolForge

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Related Compounds

ethyl 4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(2-oxo-1H-pyridin-4-yl)-1,5-naphthyridine-3-carboxylate
CID 156014276
ethyl 4-[[4-[(dimethylamino)methyl]cyclohexyl]amino]-6-(6-oxo-1H-pyridin-3-yl)-1,5-naphthyridine-3-carboxylate
CID 156009775
8-Bromo-1,5-naphthyridine-3-carboxylic acid
CID 126455199
5-Bromo-8-[(4-fluorophenyl)methylamino]-1,6-naphthyridine-7-carboxylic acid
CID 71513529
6-Bromo-4-[(3,3-difluoro-1-methylpiperidin-4-yl)amino]quinoline-3-carboxylic acid
CID 169240707
4-[[2-(Diethylamino)-2-oxoethyl]amino]-6-methylquinoline-3-carboxylic acid
CID 13733257
Ethyl 7-bromo-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-1,5-naphthyridine-3-carboxylate
CID 14515697
4-Amino-1,5-naphthyridine-3-carboxylic acid
CID 20067617
Ethyl 6-bromo-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylate
CID 21283409
6-Bromo-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid;hydrate
CID 21283427
6-Bromo-4-[[2-(dipropylamino)-2-oxoethyl]amino]quinoline-3-carboxylic acid
CID 21283428
3-bromo-1H-pyrrolo[3,2-b]pyridine-6-carboxylic acid
CID 53412550

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-2-ethyl-1,5-naphthyridine-3-carboxylic acid?
The IUPAC name of 7-bromo-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-2-ethyl-1,5-naphthyridine-3-carboxylic acid (CID 67948873) is 7-bromo-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-2-ethyl-1,5-naphthyridine-3-carboxylic acid.
What is the SMILES notation for 7-bromo-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-2-ethyl-1,5-naphthyridine-3-carboxylic acid?
The canonical SMILES for 7-bromo-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-2-ethyl-1,5-naphthyridine-3-carboxylic acid is CCCN(CCC)C(=O)C(C)Nc1c(C(=O)O)c(CC)nc2cc(Br)cnc12.
What is the InChIKey of 7-bromo-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-2-ethyl-1,5-naphthyridine-3-carboxylic acid?
The InChIKey is QQZVKYQBWNXABB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27BrN4O3/c1-5-8-25(9-6-2)19(26)12(4)23-18-16(20(27)28)14(7-3)24-15-10-13(21)11-22-17(15)18/h10-12H,5-9H2,1-4H3,(H,23,24)(H,27,28).
What are the key properties of 7-bromo-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-2-ethyl-1,5-naphthyridine-3-carboxylic acid?
7-bromo-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-2-ethyl-1,5-naphthyridine-3-carboxylic acid has a molecular weight of 451.37 g/mol, XLogP of 4.10, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-[[1-(dipropylamino)-1-oxopropan-2-yl]amino]-2-ethyl-1,5-naphthyridine-3-carboxylic acid is sourced from PubChem (CID 67948873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).