1-methyl-3-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline

C22H17N5O — CID 90676351

IUPAC1-methyl-3-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline
SMILESCn1cc(COc2ncccc2-c2cncnc2)c2nc3ccccc3cc21
InChIInChI=1S/C22H17N5O/c1-27-12-17(21-20(27)9-15-5-2-3-7-19(15)26-21)13-28-22-18(6-4-8-25-22)16-10-23-14-24-11-16/h2-12,14H,13H2,1H3
InChIKeyJXXYPXKQUIOQCQ-UHFFFAOYSA-N
MW367.41 g/mol
LogP4.16
Rot. Bonds4

About 1-methyl-3-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline

1-methyl-3-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline (PubChem CID 90676351) has the molecular formula C22H17N5O and a molecular weight of 367.41 g/mol. Its IUPAC name is 1-methyl-3-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline.

Molecular Properties

Compound Name1-methyl-3-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline
PubChem CID90676351
Molecular FormulaC22H17N5O
Molecular Weight367.41 g/mol
Exact Mass367.14
IUPAC Name1-methyl-3-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline
SMILESCn1cc(COc2ncccc2-c2cncnc2)c2nc3ccccc3cc21
InChIInChI=1S/C22H17N5O/c1-27-12-17(21-20(27)9-15-5-2-3-7-19(15)26-21)13-28-22-18(6-4-8-25-22)16-10-23-14-24-11-16/h2-12,14H,13H2,1H3
InChIKeyJXXYPXKQUIOQCQ-UHFFFAOYSA-N
XLogP4.16
TPSA65.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Azd-0156
CID 118502708
Azd-1390
CID 126689157
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3-(6-Methoxypyridin-2-yl)-7-phenylimidazo[1,2-a]pyridine
CID 5329342
Benzimidazole deriv. 5
CID 5329405
1-[2-(4-{3-phenyl-3H-imidazo[4,5-b]pyridin-6-yl}phenoxy)ethyl]piperidine
CID 5329413
2-Methoxy-6,7-Dimethyl-9-(4-Methylpyridin-3-Yl)imidazo[1,5-A]pyrido[3,2-E]pyrazine
CID 42629702
9-Methoxy-8-(2-methoxyethoxy)-2-(4-methyl-1H-imidazol-1-yl)benzo[c]-2,7-naphthyridin-4-amine
CID 44236914
N,N-Dimethyl-3-(4-(3-(4-quinolinyl)pyrazolo(1,5-a)pyrimidin-6-yl)phenoxy)-1-propanamine
CID 50997749
5-[[1-[(1-Methylimidazol-2-yl)methyl]piperidin-4-yl]methoxy]quinazoline-2,4-diamine
CID 50997767
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
4-[2-Methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336101

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline?
The IUPAC name of 1-methyl-3-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline (CID 90676351) is 1-methyl-3-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline.
What is the SMILES notation for 1-methyl-3-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline?
The canonical SMILES for 1-methyl-3-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline is Cn1cc(COc2ncccc2-c2cncnc2)c2nc3ccccc3cc21.
What is the InChIKey of 1-methyl-3-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline?
The InChIKey is JXXYPXKQUIOQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O/c1-27-12-17(21-20(27)9-15-5-2-3-7-19(15)26-21)13-28-22-18(6-4-8-25-22)16-10-23-14-24-11-16/h2-12,14H,13H2,1H3.
What are the key properties of 1-methyl-3-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline?
1-methyl-3-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline has a molecular weight of 367.41 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(3-pyrimidin-5-yl-2-pyridinyl)oxymethyl]pyrrolo[3,2-b]quinoline is sourced from PubChem (CID 90676351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).