4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide

C20H15ClN6O2 — CID 59254896

IUPAC4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)nc4)ncc3c2)ccn1
InChIInChI=1S/C20H15ClN6O2/c1-22-19(28)17-9-15(6-7-23-17)29-14-3-4-16-12(8-14)10-25-20(27-16)26-13-2-5-18(21)24-11-13/h2-11H,1H3,(H,22,28)(H,25,26,27)
InChIKeyWPJBALBCRFURHD-UHFFFAOYSA-N
MW406.83 g/mol
LogP3.97
Rot. Bonds5

About 4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide

4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide (PubChem CID 59254896) has the molecular formula C20H15ClN6O2 and a molecular weight of 406.83 g/mol. Its IUPAC name is 4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
PubChem CID59254896
Molecular FormulaC20H15ClN6O2
Molecular Weight406.83 g/mol
Exact Mass406.09
IUPAC Name4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)nc4)ncc3c2)ccn1
InChIInChI=1S/C20H15ClN6O2/c1-22-19(28)17-9-15(6-7-23-17)29-14-3-4-16-12(8-14)10-25-20(27-16)26-13-2-5-18(21)24-11-13/h2-11H,1H3,(H,22,28)(H,25,26,27)
InChIKeyWPJBALBCRFURHD-UHFFFAOYSA-N
XLogP3.97
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.83
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 57399505
4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254857
N-methyl-4-[2-(pyridin-2-ylamino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 44603104
ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 143038075
4-[2-(cyclopentylamino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 42642424
4-[2-(3-fluoro-2-methylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254892
N-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 59254883
4-[2-(2-bicyclo[2.2.1]heptanylamino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254869
4-(2-aminoquinolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 71019360
4-[[3-[4-(iodomethyl)anilino]-1,2,4-benzotriazin-7-yl]oxy]-N-methylpyridine-2-carboxamide
CID 89406248
4-[2-(3,4-difluoroanilino)quinolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 155810675
N-[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamate
CID 86648443

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide (CID 59254896) is 4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4ccc(Cl)nc4)ncc3c2)ccn1.
What is the InChIKey of 4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
The InChIKey is WPJBALBCRFURHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN6O2/c1-22-19(28)17-9-15(6-7-23-17)29-14-3-4-16-12(8-14)10-25-20(27-16)26-13-2-5-18(21)24-11-13/h2-11H,1H3,(H,22,28)(H,25,26,27).
What are the key properties of 4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide?
4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide has a molecular weight of 406.83 g/mol, XLogP of 3.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 59254896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).