5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid

C18H14N4O3 — CID 171406059

IUPAC5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid
SMILESCOc1cccc(Nc2nc3cc(C(=O)O)[nH]c3c3cnccc23)c1
InChIInChI=1S/C18H14N4O3/c1-25-11-4-2-3-10(7-11)20-17-12-5-6-19-9-13(12)16-14(22-17)8-15(21-16)18(23)24/h2-9,21H,1H3,(H,20,22)(H,23,24)
InChIKeyGOLNBYUPXOALRD-UHFFFAOYSA-N
MW334.34 g/mol
LogP3.56
Rot. Bonds4

About 5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid

5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid (PubChem CID 171406059) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is 5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid
PubChem CID171406059
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC Name5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid
SMILESCOc1cccc(Nc2nc3cc(C(=O)O)[nH]c3c3cnccc23)c1
InChIInChI=1S/C18H14N4O3/c1-25-11-4-2-3-10(7-11)20-17-12-5-6-19-9-13(12)16-14(22-17)8-15(21-16)18(23)24/h2-9,21H,1H3,(H,20,22)(H,23,24)
InChIKeyGOLNBYUPXOALRD-UHFFFAOYSA-N
XLogP3.56
TPSA100.13 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 53.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid
CID 170687497
5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid
CID 170683343
8-(3-methoxyanilino)-1,4,9-triazatetracyclo[8.7.0.02,7.012,17]heptadeca-2(7),3,5,8,10,12(17),13,15-octaene-14-carboxylic acid
CID 170651512
5-(3-fluoroanilino)benzo[c][2,6]naphthyridine-8-carboxylic acid
CID 50942443
5-chloro-4-(3-methoxyanilino)-7-nitro-1H-indole-2-carboxylic acid
CID 141488480
5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid
CID 171470619
4-[(2-methyl-4-pyridinyl)amino]-1H-pyrrolo[3,2-c]quinoline-2-carboxylic acid
CID 171406094
4-(3-methylanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
CID 171740069
5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid
CID 170683356
N-(3-methoxyphenyl)-6-methyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 71690984
3-[(3-methoxyphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 20866755
6-N-(3-methoxyphenyl)isoquinoline-5,6-diamine
CID 106947587

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid?
The IUPAC name of 5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid (CID 171406059) is 5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid is COc1cccc(Nc2nc3cc(C(=O)O)[nH]c3c3cnccc23)c1.
What is the InChIKey of 5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid?
The InChIKey is GOLNBYUPXOALRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-25-11-4-2-3-10(7-11)20-17-12-5-6-19-9-13(12)16-14(22-17)8-15(21-16)18(23)24/h2-9,21H,1H3,(H,20,22)(H,23,24).
What are the key properties of 5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid?
5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid has a molecular weight of 334.34 g/mol, XLogP of 3.56, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid is sourced from PubChem (CID 171406059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).