N-[4-[8-chloro-1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-(ethylamino)acetamide

C23H23ClN4O4 — CID 71602684

IUPACN-[4-[8-chloro-1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c2oc2ccc(Cl)cc23)cc1
InChIInChI=1S/C23H23ClN4O4/c1-3-25-13-19(29)26-16-7-4-14(5-8-16)20-22-21(28(10-11-31-2)23(30)27-20)17-12-15(24)6-9-18(17)32-22/h4-9,12,25H,3,10-11,13H2,1-2H3,(H,26,29)
InChIKeyKGEDWQKYPBQNEU-UHFFFAOYSA-N
MW454.91 g/mol
LogP3.66
Rot. Bonds8

About N-[4-[8-chloro-1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-(ethylamino)acetamide

N-[4-[8-chloro-1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-(ethylamino)acetamide (PubChem CID 71602684) has the molecular formula C23H23ClN4O4 and a molecular weight of 454.91 g/mol. Its IUPAC name is N-[4-[8-chloro-1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-(ethylamino)acetamide.

Molecular Properties

Compound NameN-[4-[8-chloro-1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-(ethylamino)acetamide
PubChem CID71602684
Molecular FormulaC23H23ClN4O4
Molecular Weight454.91 g/mol
Exact Mass454.14
IUPAC NameN-[4-[8-chloro-1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-(ethylamino)acetamide
SMILESCCNCC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c2oc2ccc(Cl)cc23)cc1
InChIInChI=1S/C23H23ClN4O4/c1-3-25-13-19(29)26-16-7-4-14(5-8-16)20-22-21(28(10-11-31-2)23(30)27-20)17-12-15(24)6-9-18(17)32-22/h4-9,12,25H,3,10-11,13H2,1-2H3,(H,26,29)
InChIKeyKGEDWQKYPBQNEU-UHFFFAOYSA-N
XLogP3.66
TPSA98.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.91
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-Chlorophenyl)-1,3-dihydro-2H-benzofuro[3,2-e]-1,4-diazepin-2-one
CID 628149
4-[4-(2-Dimethylaminoethyloxy)phenyl]-1-(2-methoxyethyl)benzofuro[3,2-d]pyrimidin-2-one
CID 59535598
8-Chloro-4-phenyl-1-(2-pyrrolidin-1-ylethyl)benzofuro[3,2-d]pyrimidin-2-one
CID 59535602
8-Chloro-1-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-4-phenyl-benzofuro[3,2-d]pyrimidin-2-one
CID 59535728
8-Chloro-4-(4-methylpiperazin-1-yl)benzofuro[3,2-d]pyrimidin-2-ol
CID 46885297
2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-8-phenyl-benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide
CID 71590307
2-(ethylamino)-N-[4-[1-(2-methoxyethyl)-2-oxo-benzofuro[3,2-d]pyrimidin-4-yl]phenyl]acetamide
CID 71590368
1-[2-(8-Chloro-2-oxo-4-phenyl-benzofuro[3,2-d]pyrimidin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 71602681
N-[4-[1-(2-methoxyethyl)-2-oxo-benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-pyrrolidin-1-yl-acetamide
CID 71602683
1-(2-Methoxyethyl)-4-[4-(2-pyrrolidin-1-ylethylamino)phenyl]benzofuro[3,2-d]pyrimidin-2-one
CID 71602729
4-[4-(2-Dimethylaminoethyloxymethyl)phenyl]-1-(2-methoxyethyl)benzofuro[3,2-d]pyrimidin-2-one
CID 71602730
N-(2-dimethylaminoethyl)-4-[1-(2-methoxyethyl)-2-oxo-benzofuro[3,2-d]pyrimidin-4-yl]benzamide
CID 71602731

Frequently Asked Questions

What is the IUPAC name of N-[4-[8-chloro-1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-(ethylamino)acetamide?
The IUPAC name of N-[4-[8-chloro-1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-(ethylamino)acetamide (CID 71602684) is N-[4-[8-chloro-1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-(ethylamino)acetamide.
What is the SMILES notation for N-[4-[8-chloro-1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-(ethylamino)acetamide?
The canonical SMILES for N-[4-[8-chloro-1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-(ethylamino)acetamide is CCNCC(=O)Nc1ccc(-c2nc(=O)n(CCOC)c3c2oc2ccc(Cl)cc23)cc1.
What is the InChIKey of N-[4-[8-chloro-1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-(ethylamino)acetamide?
The InChIKey is KGEDWQKYPBQNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN4O4/c1-3-25-13-19(29)26-16-7-4-14(5-8-16)20-22-21(28(10-11-31-2)23(30)27-20)17-12-15(24)6-9-18(17)32-22/h4-9,12,25H,3,10-11,13H2,1-2H3,(H,26,29).
What are the key properties of N-[4-[8-chloro-1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-(ethylamino)acetamide?
N-[4-[8-chloro-1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-(ethylamino)acetamide has a molecular weight of 454.91 g/mol, XLogP of 3.66, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[8-chloro-1-(2-methoxyethyl)-2-oxo-[1]benzofuro[3,2-d]pyrimidin-4-yl]phenyl]-2-(ethylamino)acetamide is sourced from PubChem (CID 71602684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).