N-[(6-methoxyquinolin-2-yl)methyl]-4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)aniline

C26H23N5O — CID 90665371

IUPACN-[(6-methoxyquinolin-2-yl)methyl]-4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)aniline
SMILESCOc1ccc2nc(CNc3ccc(-c4c(-c5ccncc5)cnn4C)cc3)ccc2c1
InChIInChI=1S/C26H23N5O/c1-31-26(24(17-29-31)18-11-13-27-14-12-18)19-3-6-21(7-4-19)28-16-22-8-5-20-15-23(32-2)9-10-25(20)30-22/h3-15,17,28H,16H2,1-2H3
InChIKeyNFPWUDBWLPAQJC-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.32
Rot. Bonds6

About N-[(6-methoxyquinolin-2-yl)methyl]-4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)aniline

N-[(6-methoxyquinolin-2-yl)methyl]-4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)aniline (PubChem CID 90665371) has the molecular formula C26H23N5O and a molecular weight of 421.50 g/mol. Its IUPAC name is N-[(6-methoxyquinolin-2-yl)methyl]-4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)aniline.

Molecular Properties

Compound NameN-[(6-methoxyquinolin-2-yl)methyl]-4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)aniline
PubChem CID90665371
Molecular FormulaC26H23N5O
Molecular Weight421.50 g/mol
Exact Mass421.19
IUPAC NameN-[(6-methoxyquinolin-2-yl)methyl]-4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)aniline
SMILESCOc1ccc2nc(CNc3ccc(-c4c(-c5ccncc5)cnn4C)cc3)ccc2c1
InChIInChI=1S/C26H23N5O/c1-31-26(24(17-29-31)18-11-13-27-14-12-18)19-3-6-21(7-4-19)28-16-22-8-5-20-15-23(32-2)9-10-25(20)30-22/h3-15,17,28H,16H2,1-2H3
InChIKeyNFPWUDBWLPAQJC-UHFFFAOYSA-N
XLogP5.32
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(6-methoxyquinolin-2-yl)methyl]-4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)aniline?
The IUPAC name of N-[(6-methoxyquinolin-2-yl)methyl]-4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)aniline (CID 90665371) is N-[(6-methoxyquinolin-2-yl)methyl]-4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)aniline.
What is the SMILES notation for N-[(6-methoxyquinolin-2-yl)methyl]-4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)aniline?
The canonical SMILES for N-[(6-methoxyquinolin-2-yl)methyl]-4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)aniline is COc1ccc2nc(CNc3ccc(-c4c(-c5ccncc5)cnn4C)cc3)ccc2c1.
What is the InChIKey of N-[(6-methoxyquinolin-2-yl)methyl]-4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)aniline?
The InChIKey is NFPWUDBWLPAQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5O/c1-31-26(24(17-29-31)18-11-13-27-14-12-18)19-3-6-21(7-4-19)28-16-22-8-5-20-15-23(32-2)9-10-25(20)30-22/h3-15,17,28H,16H2,1-2H3.
What are the key properties of N-[(6-methoxyquinolin-2-yl)methyl]-4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)aniline?
N-[(6-methoxyquinolin-2-yl)methyl]-4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)aniline has a molecular weight of 421.50 g/mol, XLogP of 5.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(6-methoxyquinolin-2-yl)methyl]-4-(1-methyl-4-pyridin-4-ylpyrazol-5-yl)aniline is sourced from PubChem (CID 90665371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).