N-(1-adamantyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide

C27H27F2N3O2 — CID 27190264

IUPACN-(1-adamantyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1cnc2cc(F)ccc2c1=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H27F2N3O2/c28-21-3-1-17(2-4-21)14-32(27-11-18-7-19(12-27)9-20(8-18)13-27)25(33)15-31-16-30-24-10-22(29)5-6-23(24)26(31)34/h1-6,10,16,18-20H,7-9,11-15H2
InChIKeyUJEWIXGMVCGNHR-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.67
Rot. Bonds5

About N-(1-adamantyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide

N-(1-adamantyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (PubChem CID 27190264) has the molecular formula C27H27F2N3O2 and a molecular weight of 463.53 g/mol. Its IUPAC name is N-(1-adamantyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.

Molecular Properties

Compound NameN-(1-adamantyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
PubChem CID27190264
Molecular FormulaC27H27F2N3O2
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC NameN-(1-adamantyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide
SMILESO=C(Cn1cnc2cc(F)ccc2c1=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C27H27F2N3O2/c28-21-3-1-17(2-4-21)14-32(27-11-18-7-19(12-27)9-20(8-18)13-27)25(33)15-31-16-30-24-10-22(29)5-6-23(24)26(31)34/h1-6,10,16,18-20H,7-9,11-15H2
InChIKeyUJEWIXGMVCGNHR-UHFFFAOYSA-N
XLogP4.67
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-adamantyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The IUPAC name of N-(1-adamantyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide (CID 27190264) is N-(1-adamantyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide.
What is the SMILES notation for N-(1-adamantyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The canonical SMILES for N-(1-adamantyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is O=C(Cn1cnc2cc(F)ccc2c1=O)N(Cc1ccc(F)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-(1-adamantyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
The InChIKey is UJEWIXGMVCGNHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27F2N3O2/c28-21-3-1-17(2-4-21)14-32(27-11-18-7-19(12-27)9-20(8-18)13-27)25(33)15-31-16-30-24-10-22(29)5-6-23(24)26(31)34/h1-6,10,16,18-20H,7-9,11-15H2.
What are the key properties of N-(1-adamantyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide?
N-(1-adamantyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide has a molecular weight of 463.53 g/mol, XLogP of 4.67, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-adamantyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)methyl]acetamide is sourced from PubChem (CID 27190264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).