N-[5-chloro-4-[2-[1-methyl-6-oxo-2-(propan-2-ylamino)pyrimidin-5-yl]quinolin-6-yl]oxy-2-pyridinyl]acetamide

C24H23ClN6O3 — CID 170055156

IUPACN-[5-chloro-4-[2-[1-methyl-6-oxo-2-(propan-2-ylamino)pyrimidin-5-yl]quinolin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3nc(-c4cnc(NC(C)C)n(C)c4=O)ccc3c2)c(Cl)cn1
InChIInChI=1S/C24H23ClN6O3/c1-13(2)28-24-27-11-17(23(33)31(24)4)20-7-5-15-9-16(6-8-19(15)30-20)34-21-10-22(29-14(3)32)26-12-18(21)25/h5-13H,1-4H3,(H,27,28)(H,26,29,32)
InChIKeyBCGANUSGJCXAFH-UHFFFAOYSA-N
MW478.94 g/mol
LogP4.61
Rot. Bonds6

About N-[5-chloro-4-[2-[1-methyl-6-oxo-2-(propan-2-ylamino)pyrimidin-5-yl]quinolin-6-yl]oxy-2-pyridinyl]acetamide

N-[5-chloro-4-[2-[1-methyl-6-oxo-2-(propan-2-ylamino)pyrimidin-5-yl]quinolin-6-yl]oxy-2-pyridinyl]acetamide (PubChem CID 170055156) has the molecular formula C24H23ClN6O3 and a molecular weight of 478.94 g/mol. Its IUPAC name is N-[5-chloro-4-[2-[1-methyl-6-oxo-2-(propan-2-ylamino)pyrimidin-5-yl]quinolin-6-yl]oxy-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-chloro-4-[2-[1-methyl-6-oxo-2-(propan-2-ylamino)pyrimidin-5-yl]quinolin-6-yl]oxy-2-pyridinyl]acetamide
PubChem CID170055156
Molecular FormulaC24H23ClN6O3
Molecular Weight478.94 g/mol
Exact Mass478.15
IUPAC NameN-[5-chloro-4-[2-[1-methyl-6-oxo-2-(propan-2-ylamino)pyrimidin-5-yl]quinolin-6-yl]oxy-2-pyridinyl]acetamide
SMILESCC(=O)Nc1cc(Oc2ccc3nc(-c4cnc(NC(C)C)n(C)c4=O)ccc3c2)c(Cl)cn1
InChIInChI=1S/C24H23ClN6O3/c1-13(2)28-24-27-11-17(23(33)31(24)4)20-7-5-15-9-16(6-8-19(15)30-20)34-21-10-22(29-14(3)32)26-12-18(21)25/h5-13H,1-4H3,(H,27,28)(H,26,29,32)
InChIKeyBCGANUSGJCXAFH-UHFFFAOYSA-N
XLogP4.61
TPSA111.03 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.94
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-4-[2-[1-methyl-6-oxo-2-(propan-2-ylamino)pyrimidin-5-yl]quinolin-6-yl]oxy-2-pyridinyl]acetamide?
The IUPAC name of N-[5-chloro-4-[2-[1-methyl-6-oxo-2-(propan-2-ylamino)pyrimidin-5-yl]quinolin-6-yl]oxy-2-pyridinyl]acetamide (CID 170055156) is N-[5-chloro-4-[2-[1-methyl-6-oxo-2-(propan-2-ylamino)pyrimidin-5-yl]quinolin-6-yl]oxy-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-chloro-4-[2-[1-methyl-6-oxo-2-(propan-2-ylamino)pyrimidin-5-yl]quinolin-6-yl]oxy-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-chloro-4-[2-[1-methyl-6-oxo-2-(propan-2-ylamino)pyrimidin-5-yl]quinolin-6-yl]oxy-2-pyridinyl]acetamide is CC(=O)Nc1cc(Oc2ccc3nc(-c4cnc(NC(C)C)n(C)c4=O)ccc3c2)c(Cl)cn1.
What is the InChIKey of N-[5-chloro-4-[2-[1-methyl-6-oxo-2-(propan-2-ylamino)pyrimidin-5-yl]quinolin-6-yl]oxy-2-pyridinyl]acetamide?
The InChIKey is BCGANUSGJCXAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O3/c1-13(2)28-24-27-11-17(23(33)31(24)4)20-7-5-15-9-16(6-8-19(15)30-20)34-21-10-22(29-14(3)32)26-12-18(21)25/h5-13H,1-4H3,(H,27,28)(H,26,29,32).
What are the key properties of N-[5-chloro-4-[2-[1-methyl-6-oxo-2-(propan-2-ylamino)pyrimidin-5-yl]quinolin-6-yl]oxy-2-pyridinyl]acetamide?
N-[5-chloro-4-[2-[1-methyl-6-oxo-2-(propan-2-ylamino)pyrimidin-5-yl]quinolin-6-yl]oxy-2-pyridinyl]acetamide has a molecular weight of 478.94 g/mol, XLogP of 4.61, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-4-[2-[1-methyl-6-oxo-2-(propan-2-ylamino)pyrimidin-5-yl]quinolin-6-yl]oxy-2-pyridinyl]acetamide is sourced from PubChem (CID 170055156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).