N-[(2S)-1-[5-(5-chloro-2-propan-2-ylquinazolin-6-yl)oxypyrazin-2-yl]oxypropan-2-yl]acetamide

C20H22ClN5O3 — CID 122497506

IUPACN-[(2S)-1-[5-(5-chloro-2-propan-2-ylquinazolin-6-yl)oxypyrazin-2-yl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1cnc(Oc2ccc3nc(C(C)C)ncc3c2Cl)cn1
InChIInChI=1S/C20H22ClN5O3/c1-11(2)20-24-7-14-15(26-20)5-6-16(19(14)21)29-18-9-22-17(8-23-18)28-10-12(3)25-13(4)27/h5-9,11-12H,10H2,1-4H3,(H,25,27)/t12-/m0/s1
InChIKeyZNKKUSLENQJDTF-LBPRGKRZSA-N
MW415.88 g/mol
LogP3.89
Rot. Bonds7

About N-[(2S)-1-[5-(5-chloro-2-propan-2-ylquinazolin-6-yl)oxypyrazin-2-yl]oxypropan-2-yl]acetamide

N-[(2S)-1-[5-(5-chloro-2-propan-2-ylquinazolin-6-yl)oxypyrazin-2-yl]oxypropan-2-yl]acetamide (PubChem CID 122497506) has the molecular formula C20H22ClN5O3 and a molecular weight of 415.88 g/mol. Its IUPAC name is N-[(2S)-1-[5-(5-chloro-2-propan-2-ylquinazolin-6-yl)oxypyrazin-2-yl]oxypropan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(2S)-1-[5-(5-chloro-2-propan-2-ylquinazolin-6-yl)oxypyrazin-2-yl]oxypropan-2-yl]acetamide
PubChem CID122497506
Molecular FormulaC20H22ClN5O3
Molecular Weight415.88 g/mol
Exact Mass415.14
IUPAC NameN-[(2S)-1-[5-(5-chloro-2-propan-2-ylquinazolin-6-yl)oxypyrazin-2-yl]oxypropan-2-yl]acetamide
SMILESCC(=O)N[C@@H](C)COc1cnc(Oc2ccc3nc(C(C)C)ncc3c2Cl)cn1
InChIInChI=1S/C20H22ClN5O3/c1-11(2)20-24-7-14-15(26-20)5-6-16(19(14)21)29-18-9-22-17(8-23-18)28-10-12(3)25-13(4)27/h5-9,11-12H,10H2,1-4H3,(H,25,27)/t12-/m0/s1
InChIKeyZNKKUSLENQJDTF-LBPRGKRZSA-N
XLogP3.89
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.88
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[5-(5-chloro-2-propan-2-ylquinazolin-6-yl)oxypyrazin-2-yl]oxypropan-2-yl]acetamide?
The IUPAC name of N-[(2S)-1-[5-(5-chloro-2-propan-2-ylquinazolin-6-yl)oxypyrazin-2-yl]oxypropan-2-yl]acetamide (CID 122497506) is N-[(2S)-1-[5-(5-chloro-2-propan-2-ylquinazolin-6-yl)oxypyrazin-2-yl]oxypropan-2-yl]acetamide.
What is the SMILES notation for N-[(2S)-1-[5-(5-chloro-2-propan-2-ylquinazolin-6-yl)oxypyrazin-2-yl]oxypropan-2-yl]acetamide?
The canonical SMILES for N-[(2S)-1-[5-(5-chloro-2-propan-2-ylquinazolin-6-yl)oxypyrazin-2-yl]oxypropan-2-yl]acetamide is CC(=O)N[C@@H](C)COc1cnc(Oc2ccc3nc(C(C)C)ncc3c2Cl)cn1.
What is the InChIKey of N-[(2S)-1-[5-(5-chloro-2-propan-2-ylquinazolin-6-yl)oxypyrazin-2-yl]oxypropan-2-yl]acetamide?
The InChIKey is ZNKKUSLENQJDTF-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H22ClN5O3/c1-11(2)20-24-7-14-15(26-20)5-6-16(19(14)21)29-18-9-22-17(8-23-18)28-10-12(3)25-13(4)27/h5-9,11-12H,10H2,1-4H3,(H,25,27)/t12-/m0/s1.
What are the key properties of N-[(2S)-1-[5-(5-chloro-2-propan-2-ylquinazolin-6-yl)oxypyrazin-2-yl]oxypropan-2-yl]acetamide?
N-[(2S)-1-[5-(5-chloro-2-propan-2-ylquinazolin-6-yl)oxypyrazin-2-yl]oxypropan-2-yl]acetamide has a molecular weight of 415.88 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[5-(5-chloro-2-propan-2-ylquinazolin-6-yl)oxypyrazin-2-yl]oxypropan-2-yl]acetamide is sourced from PubChem (CID 122497506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).