N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide

C21H23FN4O2 — CID 27190120

IUPACN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCCN(c1ccc(NC(=O)Cn2cnc3cc(F)ccc3c2=O)cc1)C(C)C
InChIInChI=1S/C21H23FN4O2/c1-4-26(14(2)3)17-8-6-16(7-9-17)24-20(27)12-25-13-23-19-11-15(22)5-10-18(19)21(25)28/h5-11,13-14H,4,12H2,1-3H3,(H,24,27)
InChIKeyPMMGURYPWMMXFN-UHFFFAOYSA-N
MW382.44 g/mol
LogP3.41
Rot. Bonds6

About N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide

N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 27190120) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
PubChem CID27190120
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESCCN(c1ccc(NC(=O)Cn2cnc3cc(F)ccc3c2=O)cc1)C(C)C
InChIInChI=1S/C21H23FN4O2/c1-4-26(14(2)3)17-8-6-16(7-9-17)24-20(27)12-25-13-23-19-11-15(22)5-10-18(19)21(25)28/h5-11,13-14H,4,12H2,1-3H3,(H,24,27)
InChIKeyPMMGURYPWMMXFN-UHFFFAOYSA-N
XLogP3.41
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
2-(benzimidazol-1-yl)-N-[4-[ethyl(propan-2-yl)amino]phenyl]acetamide
CID 2437108
S-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl] N,N-dimethylcarbamothioate
CID 56580060
N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40750663
N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40743513
N-ethyl-2-[4-[[2-(6-fluoro-4-oxoquinazolin-3-yl)acetyl]amino]phenyl]-N-phenylacetamide
CID 55891024
N-benzyl-2-(7-fluoro-4-oxoquinazolin-3-yl)-N-propan-2-ylacetamide
CID 40743682
N-(4-bromo-3-methylphenyl)-2-(6-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 46586085
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 24520750
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-(2,4,5-trimethylphenyl)ethyl]acetamide
CID 17458089
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-iodo-2-methylphenyl)acetamide
CID 27075653
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 40743912

Frequently Asked Questions

What is the IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide (CID 27190120) is N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide is CCN(c1ccc(NC(=O)Cn2cnc3cc(F)ccc3c2=O)cc1)C(C)C.
What is the InChIKey of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is PMMGURYPWMMXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-4-26(14(2)3)17-8-6-16(7-9-17)24-20(27)12-25-13-23-19-11-15(22)5-10-18(19)21(25)28/h5-11,13-14H,4,12H2,1-3H3,(H,24,27).
What are the key properties of N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 382.44 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 27190120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).