6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid

C20H18N4O2 — CID 170687498

IUPAC6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid
SMILESCC(C)c1cccc(Nc2nc3ccncc3c3cc(C(=O)O)[nH]c23)c1
InChIInChI=1S/C20H18N4O2/c1-11(2)12-4-3-5-13(8-12)22-19-18-14(9-17(23-18)20(25)26)15-10-21-7-6-16(15)24-19/h3-11,23H,1-2H3,(H,22,24)(H,25,26)
InChIKeyCVHJNSUSQVTFIU-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.68
Rot. Bonds4

About 6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid

6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid (PubChem CID 170687498) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is 6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid.

Molecular Properties

Compound Name6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid
PubChem CID170687498
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC Name6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid
SMILESCC(C)c1cccc(Nc2nc3ccncc3c3cc(C(=O)O)[nH]c23)c1
InChIInChI=1S/C20H18N4O2/c1-11(2)12-4-3-5-13(8-12)22-19-18-14(9-17(23-18)20(25)26)15-10-21-7-6-16(15)24-19/h3-11,23H,1-2H3,(H,22,24)(H,25,26)
InChIKeyCVHJNSUSQVTFIU-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-(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
5-(3-methoxyanilino)-1H-pyrrolo[3,2-c][2,6]naphthyridine-2-carboxylic acid
CID 171406059
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
4-benzyl-2-(3-propan-2-ylanilino)pyrido[3,4-b]pyrazin-3-one
CID 87054692
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
4-[3-(dimethylamino)anilino]-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
CID 171740070
4-(3-chloroanilino)-2H-pyrazolo[4,3-c][1,6]naphthyridine-3-carboxylic acid
CID 171740048
5-[4-(dimethylamino)anilino]-3H-pyrrolo[2,3-c][2,7]naphthyridine-2-carboxylic acid
CID 170683356
2-chloro-N-(3-propan-2-ylphenyl)-7H-purin-6-amine
CID 104787073
3-hydrazinyl-N-(3-propan-2-ylphenyl)pyridine-4-carboxamide
CID 105071923

Frequently Asked Questions

What is the IUPAC name of 6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid?
The IUPAC name of 6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid (CID 170687498) is 6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid.
What is the SMILES notation for 6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid?
The canonical SMILES for 6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid is CC(C)c1cccc(Nc2nc3ccncc3c3cc(C(=O)O)[nH]c23)c1.
What is the InChIKey of 6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid?
The InChIKey is CVHJNSUSQVTFIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-11(2)12-4-3-5-13(8-12)22-19-18-14(9-17(23-18)20(25)26)15-10-21-7-6-16(15)24-19/h3-11,23H,1-2H3,(H,22,24)(H,25,26).
What are the key properties of 6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid?
6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-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 6-(3-propan-2-ylanilino)-7H-pyrrolo[2,3-c][1,6]naphthyridine-8-carboxylic acid is sourced from PubChem (CID 170687498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).