N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide

C19H21Cl2N3O2 — CID 98785322

IUPACN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
SMILESC[C@@H](NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H21Cl2N3O2/c1-10(14-5-11-2-3-12(14)4-11)24-17(25)8-26-19-15-6-13(20)7-16(21)18(15)22-9-23-19/h6-7,9-12,14H,2-5,8H2,1H3,(H,24,25)/t10-,11+,12+,14-/m1/s1
InChIKeyGRWVUSUUZHVVQP-OWTLIXCDSA-N
MW394.30 g/mol
LogP4.26
Rot. Bonds5

About N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide

N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide (PubChem CID 98785322) has the molecular formula C19H21Cl2N3O2 and a molecular weight of 394.30 g/mol. Its IUPAC name is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide.

Molecular Properties

Compound NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
PubChem CID98785322
Molecular FormulaC19H21Cl2N3O2
Molecular Weight394.30 g/mol
Exact Mass393.10
IUPAC NameN-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide
SMILESC[C@@H](NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12)[C@H]1C[C@H]2CC[C@H]1C2
InChIInChI=1S/C19H21Cl2N3O2/c1-10(14-5-11-2-3-12(14)4-11)24-17(25)8-26-19-15-6-13(20)7-16(21)18(15)22-9-23-19/h6-7,9-12,14H,2-5,8H2,1H3,(H,24,25)/t10-,11+,12+,14-/m1/s1
InChIKeyGRWVUSUUZHVVQP-OWTLIXCDSA-N
XLogP4.26
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.30
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-quinazolin-4-yloxyacetamide
CID 98288358
N-[(1S)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,4-dichlorophenoxy)acetamide
CID 98408205
N-[(1R)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chloro-2-methylphenoxy)acetamide
CID 897091
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(3-chlorophenoxy)acetamide
CID 98408218
N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-bromo-2-chloro-6-methylphenoxy)acetamide
CID 98683871
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-chlorophenoxy)acetamide
CID 129376161
N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2,3,5,6-tetrafluorophenoxy)acetamide
CID 98370549
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-phenoxyacetamide
CID 2932687
N-[(1S)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-phthalazin-1-yloxyacetamide
CID 98307502
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(2-chloro-4-cyanophenoxy)acetamide
CID 98750854
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-[4-fluoro-2,6-bis(hydroxymethyl)phenoxy]acetamide
CID 112788177
[2-[[(1S)-1-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]amino]-2-oxoethyl] 2,6-dichloropyridine-4-carboxylate
CID 2342750

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
The IUPAC name of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide (CID 98785322) is N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide.
What is the SMILES notation for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
The canonical SMILES for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide is C[C@@H](NC(=O)COc1ncnc2c(Cl)cc(Cl)cc12)[C@H]1C[C@H]2CC[C@H]1C2.
What is the InChIKey of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
The InChIKey is GRWVUSUUZHVVQP-OWTLIXCDSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2/c1-10(14-5-11-2-3-12(14)4-11)24-17(25)8-26-19-15-6-13(20)7-16(21)18(15)22-9-23-19/h6-7,9-12,14H,2-5,8H2,1H3,(H,24,25)/t10-,11+,12+,14-/m1/s1.
What are the key properties of N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide?
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide has a molecular weight of 394.30 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(6,8-dichloroquinazolin-4-yl)oxyacetamide is sourced from PubChem (CID 98785322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).