5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one

C26H21Cl2N5O2 — CID 59484559

IUPAC5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one
SMILESCc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3cc(Cl)ccc3=O)c2n1
InChIInChI=1S/C26H21Cl2N5O2/c1-16-10-20(23-8-9-30-32(23)2)19-4-3-5-24(26(19)31-16)35-15-21-17(11-29-12-22(21)28)13-33-14-18(27)6-7-25(33)34/h3-12,14H,13,15H2,1-2H3
InChIKeyAVDXFNNKJRTBNN-UHFFFAOYSA-N
MW506.39 g/mol
LogP5.43
Rot. Bonds6

About 5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one

5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one (PubChem CID 59484559) has the molecular formula C26H21Cl2N5O2 and a molecular weight of 506.39 g/mol. Its IUPAC name is 5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one.

Molecular Properties

Compound Name5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one
PubChem CID59484559
Molecular FormulaC26H21Cl2N5O2
Molecular Weight506.39 g/mol
Exact Mass505.11
IUPAC Name5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one
SMILESCc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3cc(Cl)ccc3=O)c2n1
InChIInChI=1S/C26H21Cl2N5O2/c1-16-10-20(23-8-9-30-32(23)2)19-4-3-5-24(26(19)31-16)35-15-21-17(11-29-12-22(21)28)13-33-14-18(27)6-7-25(33)34/h3-12,14H,13,15H2,1-2H3
InChIKeyAVDXFNNKJRTBNN-UHFFFAOYSA-N
XLogP5.43
TPSA74.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.39
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one?
The IUPAC name of 5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one (CID 59484559) is 5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one.
What is the SMILES notation for 5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one?
The canonical SMILES for 5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one is Cc1cc(-c2ccnn2C)c2cccc(OCc3c(Cl)cncc3Cn3cc(Cl)ccc3=O)c2n1.
What is the InChIKey of 5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one?
The InChIKey is AVDXFNNKJRTBNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2N5O2/c1-16-10-20(23-8-9-30-32(23)2)19-4-3-5-24(26(19)31-16)35-15-21-17(11-29-12-22(21)28)13-33-14-18(27)6-7-25(33)34/h3-12,14H,13,15H2,1-2H3.
What are the key properties of 5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one?
5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one has a molecular weight of 506.39 g/mol, XLogP of 5.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-[[5-chloro-4-[[2-methyl-4-(2-methylpyrazol-3-yl)quinolin-8-yl]oxymethyl]-3-pyridinyl]methyl]pyridin-2-one is sourced from PubChem (CID 59484559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).