5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid

C20H18N4O2 — CID 170683343

IUPAC5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid
SMILESCC(C)c1cccc(Nc2nc3[nH]c(C(=O)O)cc3c3ccncc23)c1
InChIInChI=1S/C20H18N4O2/c1-11(2)12-4-3-5-13(8-12)22-19-16-10-21-7-6-14(16)15-9-17(20(25)26)23-18(15)24-19/h3-11H,1-2H3,(H,25,26)(H2,22,23,24)
InChIKeyQIBUPQBWMYKKPE-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.68
Rot. Bonds4

About 5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid

5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid (PubChem CID 170683343) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid
PubChem CID170683343
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid
SMILESCC(C)c1cccc(Nc2nc3[nH]c(C(=O)O)cc3c3ccncc23)c1
InChIInChI=1S/C20H18N4O2/c1-11(2)12-4-3-5-13(8-12)22-19-16-10-21-7-6-14(16)15-9-17(20(25)26)23-18(15)24-19/h3-11H,1-2H3,(H,25,26)(H2,22,23,24)
InChIKeyQIBUPQBWMYKKPE-UHFFFAOYSA-N
XLogP4.68
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid
CID 170687498
5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid
CID 170683356
8-(3-propan-2-ylanilino)-2,3,4,7,12-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaene-5-carboxylic acid
CID 171736732
5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid
CID 171406059
6-[3-(dimethylamino)anilino]-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid
CID 170687497
1,2-dioxo-5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c]isoquinoline-7-carboxylic acid
CID 171418299
3-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide
CID 105071923
2-methyl-4-N-(3-propan-2-ylphenyl)-1H-imidazole-4,5-diamine
CID 55012235
N-(3-propan-2-ylphenyl)-2-pyrimidin-4-yl-1H-pyrrolo[2,3-c]pyridin-3-amine
CID 170687414
N-(3-propan-2-ylphenyl)-1H-indazole-6-carboxamide
CID 60715255
2-chloro-6-methyl-N-(3-propan-2-ylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 103320341
5-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][2,6]naphthyridine-3-carboxylic acid
CID 171470619

Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid?
The IUPAC name of 5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid (CID 170683343) is 5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid.
What is the SMILES notation for 5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid?
The canonical SMILES for 5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid is CC(C)c1cccc(Nc2nc3[nH]c(C(=O)O)cc3c3ccncc23)c1.
What is the InChIKey of 5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid?
The InChIKey is QIBUPQBWMYKKPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-11(2)12-4-3-5-13(8-12)22-19-16-10-21-7-6-14(16)15-9-17(20(25)26)23-18(15)24-19/h3-11H,1-2H3,(H,25,26)(H2,22,23,24).
What are the key properties of 5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid?
5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid has a molecular weight of 346.39 g/mol, XLogP of 4.68, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-ylanilino)-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid is sourced from PubChem (CID 170683343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).