N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide

C15H16FN3O2 — CID 40750663

IUPACN-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1cnc2cc(F)ccc2c1=O)C1CC1
InChIInChI=1S/C15H16FN3O2/c1-9(10-2-3-10)18-14(20)7-19-8-17-13-6-11(16)4-5-12(13)15(19)21/h4-6,8-10H,2-3,7H2,1H3,(H,18,20)/t9-/m1/s1
InChIKeyQIJMIBREINWFBM-SECBINFHSA-N
MW289.31 g/mol
LogP1.45
Rot. Bonds4

About N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide

N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide (PubChem CID 40750663) has the molecular formula C15H16FN3O2 and a molecular weight of 289.31 g/mol. Its IUPAC name is N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
PubChem CID40750663
Molecular FormulaC15H16FN3O2
Molecular Weight289.31 g/mol
Exact Mass289.12
IUPAC NameN-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
SMILESC[C@@H](NC(=O)Cn1cnc2cc(F)ccc2c1=O)C1CC1
InChIInChI=1S/C15H16FN3O2/c1-9(10-2-3-10)18-14(20)7-19-8-17-13-6-11(16)4-5-12(13)15(19)21/h4-6,8-10H,2-3,7H2,1H3,(H,18,20)/t9-/m1/s1
InChIKeyQIJMIBREINWFBM-SECBINFHSA-N
XLogP1.45
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(6-chloro-4-oxoquinazolin-3-yl)-N-(1-cyclopropylethyl)acetamide
CID 51216214
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-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 40743912
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 55443771
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 24520750
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-(4-methylphenyl)acetamide
CID 40743532
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 42952638
N-(2,3-dimethylphenyl)-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 40743513
2-(7-fluoro-4-oxoquinazolin-3-yl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 24520776
N-[4-[ethyl(propan-2-yl)amino]phenyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide
CID 27190120
2-[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1R)-1-cyclopropylethyl]acetamide
CID 8626048
2-(6-fluoro-4-oxoquinazolin-3-yl)-N-(1-phenylethyl)acetamide
CID 46585768

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide (CID 40750663) is N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide is C[C@@H](NC(=O)Cn1cnc2cc(F)ccc2c1=O)C1CC1.
What is the InChIKey of N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is QIJMIBREINWFBM-SECBINFHSA-N. The full InChI is InChI=1S/C15H16FN3O2/c1-9(10-2-3-10)18-14(20)7-19-8-17-13-6-11(16)4-5-12(13)15(19)21/h4-6,8-10H,2-3,7H2,1H3,(H,18,20)/t9-/m1/s1.
What are the key properties of N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide?
N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 289.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-cyclopropylethyl]-2-(7-fluoro-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 40750663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).