N-(2-chloro-3-methoxy-5-pyridin-3-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

C26H18ClF2N5O — CID 88926487

IUPACN-(2-chloro-3-methoxy-5-pyridin-3-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1c(Cl)ncc(-c2cccnc2)c1Nc1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12
InChIInChI=1S/C26H18ClF2N5O/c1-14-22(19-7-3-4-9-31-19)33-20-11-16(28)10-18(29)21(20)23(14)34-24-17(15-6-5-8-30-12-15)13-32-26(27)25(24)35-2/h3-13H,1-2H3,(H,32,33,34)
InChIKeyFAZYHMBXODSWAP-UHFFFAOYSA-N
MW489.91 g/mol
LogP6.75
Rot. Bonds5

About N-(2-chloro-3-methoxy-5-pyridin-3-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine

N-(2-chloro-3-methoxy-5-pyridin-3-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (PubChem CID 88926487) has the molecular formula C26H18ClF2N5O and a molecular weight of 489.91 g/mol. Its IUPAC name is N-(2-chloro-3-methoxy-5-pyridin-3-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(2-chloro-3-methoxy-5-pyridin-3-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
PubChem CID88926487
Molecular FormulaC26H18ClF2N5O
Molecular Weight489.91 g/mol
Exact Mass489.12
IUPAC NameN-(2-chloro-3-methoxy-5-pyridin-3-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine
SMILESCOc1c(Cl)ncc(-c2cccnc2)c1Nc1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12
InChIInChI=1S/C26H18ClF2N5O/c1-14-22(19-7-3-4-9-31-19)33-20-11-16(28)10-18(29)21(20)23(14)34-24-17(15-6-5-8-30-12-15)13-32-26(27)25(24)35-2/h3-13H,1-2H3,(H,32,33,34)
InChIKeyFAZYHMBXODSWAP-UHFFFAOYSA-N
XLogP6.75
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.91
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-3-methoxy-5-pyridin-3-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The IUPAC name of N-(2-chloro-3-methoxy-5-pyridin-3-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine (CID 88926487) is N-(2-chloro-3-methoxy-5-pyridin-3-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine.
What is the SMILES notation for N-(2-chloro-3-methoxy-5-pyridin-3-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The canonical SMILES for N-(2-chloro-3-methoxy-5-pyridin-3-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is COc1c(Cl)ncc(-c2cccnc2)c1Nc1c(C)c(-c2ccccn2)nc2cc(F)cc(F)c12.
What is the InChIKey of N-(2-chloro-3-methoxy-5-pyridin-3-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
The InChIKey is FAZYHMBXODSWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18ClF2N5O/c1-14-22(19-7-3-4-9-31-19)33-20-11-16(28)10-18(29)21(20)23(14)34-24-17(15-6-5-8-30-12-15)13-32-26(27)25(24)35-2/h3-13H,1-2H3,(H,32,33,34).
What are the key properties of N-(2-chloro-3-methoxy-5-pyridin-3-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine?
N-(2-chloro-3-methoxy-5-pyridin-3-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine has a molecular weight of 489.91 g/mol, XLogP of 6.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-3-methoxy-5-pyridin-3-yl-4-pyridinyl)-5,7-difluoro-3-methyl-2-pyridin-2-ylquinolin-4-amine is sourced from PubChem (CID 88926487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).