1-methyl-3-[3-(4-pyrimidin-5-ylpyrimidin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline

C26H18N6O — CID 118707955

IUPAC1-methyl-3-[3-(4-pyrimidin-5-ylpyrimidin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline
SMILESCn1cc(-c2cccc(Oc3nccc(-c4cncnc4)n3)c2)c2nc3ccccc3cc21
InChIInChI=1S/C26H18N6O/c1-32-15-21(25-24(32)12-18-5-2-3-8-22(18)30-25)17-6-4-7-20(11-17)33-26-29-10-9-23(31-26)19-13-27-16-28-14-19/h2-16H,1H3
InChIKeyWDFUORJKELNGOT-UHFFFAOYSA-N
MW430.47 g/mol
LogP5.43
Rot. Bonds4

About 1-methyl-3-[3-(4-pyrimidin-5-ylpyrimidin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline

1-methyl-3-[3-(4-pyrimidin-5-ylpyrimidin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline (PubChem CID 118707955) has the molecular formula C26H18N6O and a molecular weight of 430.47 g/mol. Its IUPAC name is 1-methyl-3-[3-(4-pyrimidin-5-ylpyrimidin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline.

Molecular Properties

Compound Name1-methyl-3-[3-(4-pyrimidin-5-ylpyrimidin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline
PubChem CID118707955
Molecular FormulaC26H18N6O
Molecular Weight430.47 g/mol
Exact Mass430.15
IUPAC Name1-methyl-3-[3-(4-pyrimidin-5-ylpyrimidin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline
SMILESCn1cc(-c2cccc(Oc3nccc(-c4cncnc4)n3)c2)c2nc3ccccc3cc21
InChIInChI=1S/C26H18N6O/c1-32-15-21(25-24(32)12-18-5-2-3-8-22(18)30-25)17-6-4-7-20(11-17)33-26-29-10-9-23(31-26)19-13-27-16-28-14-19/h2-16H,1H3
InChIKeyWDFUORJKELNGOT-UHFFFAOYSA-N
XLogP5.43
TPSA78.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.47
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
2-Methoxy-6,7-Dimethyl-9-(4-Methylpyridin-3-Yl)imidazo[1,5-A]pyrido[3,2-E]pyrazine
CID 42629702
2-(1H-imidazol-1-yl)-8,9-dimethoxybenzo[c]-2,7-naphthyridin-4-amine
CID 44236916
Benzo[c][2,7]naphthyridine, 21
CID 44236918
4-[4-(4-Methoxyphenyl)piperazin-1-Yl]-2-(Pyridin-2-Yl)quinazoline
CID 58279815
AZ191
CID 72716071
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-ylquinazolin-4-amine
CID 3234673
7-[(4-methoxyphenyl)-methyl]-7H-pyrrolo[3,2-f]quinazoline-1,3-diamine
CID 23332045
N-(4-(3-(2-(methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine
CID 24983495
2-[(E)-2-[4-(6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl)-6-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethenyl]-N,N-dimethylquinazolin-4-amine
CID 46178283
N-(4-(3-(2-((1-ethylpiperidin-4-yl)methylamino)pyrimidin-4-yl)pyridin-2-yloxy)naphthalen-1-yl)-1H-benzo[d]imidazol-2-amine
CID 46890253
6-(2-(4-(2-methylquinolin-5-yl)piperazin-1-yl)ethyl)-4H-benzo[b]imidazo[1,2-d][1,4]oxazine
CID 46900150

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(4-pyrimidin-5-ylpyrimidin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline?
The IUPAC name of 1-methyl-3-[3-(4-pyrimidin-5-ylpyrimidin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline (CID 118707955) is 1-methyl-3-[3-(4-pyrimidin-5-ylpyrimidin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline.
What is the SMILES notation for 1-methyl-3-[3-(4-pyrimidin-5-ylpyrimidin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline?
The canonical SMILES for 1-methyl-3-[3-(4-pyrimidin-5-ylpyrimidin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline is Cn1cc(-c2cccc(Oc3nccc(-c4cncnc4)n3)c2)c2nc3ccccc3cc21.
What is the InChIKey of 1-methyl-3-[3-(4-pyrimidin-5-ylpyrimidin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline?
The InChIKey is WDFUORJKELNGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18N6O/c1-32-15-21(25-24(32)12-18-5-2-3-8-22(18)30-25)17-6-4-7-20(11-17)33-26-29-10-9-23(31-26)19-13-27-16-28-14-19/h2-16H,1H3.
What are the key properties of 1-methyl-3-[3-(4-pyrimidin-5-ylpyrimidin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline?
1-methyl-3-[3-(4-pyrimidin-5-ylpyrimidin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline has a molecular weight of 430.47 g/mol, XLogP of 5.43, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(4-pyrimidin-5-ylpyrimidin-2-yl)oxyphenyl]pyrrolo[3,2-b]quinoline is sourced from PubChem (CID 118707955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).