1-(2-amino-8-fluoroquinazolin-4-yl)-4-(5-methyl-2-pyridinyl)butan-1-one

C18H17FN4O — CID 157295338

IUPAC1-(2-amino-8-fluoroquinazolin-4-yl)-4-(5-methyl-2-pyridinyl)butan-1-one
SMILESCc1ccc(CCCC(=O)c2nc(N)nc3c(F)cccc23)nc1
InChIInChI=1S/C18H17FN4O/c1-11-8-9-12(21-10-11)4-2-7-15(24)17-13-5-3-6-14(19)16(13)22-18(20)23-17/h3,5-6,8-10H,2,4,7H2,1H3,(H2,20,22,23)
InChIKeyBBGXQBVRMLPTMD-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.26
Rot. Bonds5

About 1-(2-amino-8-fluoroquinazolin-4-yl)-4-(5-methyl-2-pyridinyl)butan-1-one

1-(2-amino-8-fluoroquinazolin-4-yl)-4-(5-methyl-2-pyridinyl)butan-1-one (PubChem CID 157295338) has the molecular formula C18H17FN4O and a molecular weight of 324.36 g/mol. Its IUPAC name is 1-(2-amino-8-fluoroquinazolin-4-yl)-4-(5-methyl-2-pyridinyl)butan-1-one.

Molecular Properties

Compound Name1-(2-amino-8-fluoroquinazolin-4-yl)-4-(5-methyl-2-pyridinyl)butan-1-one
PubChem CID157295338
Molecular FormulaC18H17FN4O
Molecular Weight324.36 g/mol
Exact Mass324.14
IUPAC Name1-(2-amino-8-fluoroquinazolin-4-yl)-4-(5-methyl-2-pyridinyl)butan-1-one
SMILESCc1ccc(CCCC(=O)c2nc(N)nc3c(F)cccc23)nc1
InChIInChI=1S/C18H17FN4O/c1-11-8-9-12(21-10-11)4-2-7-15(24)17-13-5-3-6-14(19)16(13)22-18(20)23-17/h3,5-6,8-10H,2,4,7H2,1H3,(H2,20,22,23)
InChIKeyBBGXQBVRMLPTMD-UHFFFAOYSA-N
XLogP3.26
TPSA81.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2,3-difluorophenyl)-2-(5-methyl-2-pyridinyl)ethanone
CID 66448501
2-(2-amino-8-fluoroquinazolin-4-yl)acetic acid
CID 105476978
2-amino-8-fluoro-N-[(6-methoxy-3-methyl-2-pyridinyl)methyl]quinazoline-4-carboxamide
CID 122445004
3-(5-methyl-2-pyridinyl)propanoic acid
CID 79002141
1-(2-amino-8-methoxyquinazolin-4-yl)-3-quinolin-8-ylpropan-1-one
CID 159292409
5-methyl-2-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 86125862
2-amino-N-[dideuterio-[6-[4-(2-methoxyethoxy)phenoxy]-2-pyridinyl]methyl]-8-fluoroquinazoline-4-carboxamide
CID 122444957
2-(5-methyl-2-pyridinyl)ethanol
CID 14546495
N-methyl-3-(5-methyl-2-pyridinyl)propanamide
CID 15133713
2-methyl-6-[2-(5-methyl-2-pyridinyl)ethyl]pyridine
CID 130440766
2-amino-N-[[6-[(2-fluorophenoxy)methyl]-2-pyridinyl]methyl]-8-methoxyquinazoline-4-carboxamide
CID 122444984
1,1,1-trifluoro-3-(5-methyl-2-pyridinyl)propan-2-one
CID 15357184

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-8-fluoroquinazolin-4-yl)-4-(5-methyl-2-pyridinyl)butan-1-one?
The IUPAC name of 1-(2-amino-8-fluoroquinazolin-4-yl)-4-(5-methyl-2-pyridinyl)butan-1-one (CID 157295338) is 1-(2-amino-8-fluoroquinazolin-4-yl)-4-(5-methyl-2-pyridinyl)butan-1-one.
What is the SMILES notation for 1-(2-amino-8-fluoroquinazolin-4-yl)-4-(5-methyl-2-pyridinyl)butan-1-one?
The canonical SMILES for 1-(2-amino-8-fluoroquinazolin-4-yl)-4-(5-methyl-2-pyridinyl)butan-1-one is Cc1ccc(CCCC(=O)c2nc(N)nc3c(F)cccc23)nc1.
What is the InChIKey of 1-(2-amino-8-fluoroquinazolin-4-yl)-4-(5-methyl-2-pyridinyl)butan-1-one?
The InChIKey is BBGXQBVRMLPTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O/c1-11-8-9-12(21-10-11)4-2-7-15(24)17-13-5-3-6-14(19)16(13)22-18(20)23-17/h3,5-6,8-10H,2,4,7H2,1H3,(H2,20,22,23).
What are the key properties of 1-(2-amino-8-fluoroquinazolin-4-yl)-4-(5-methyl-2-pyridinyl)butan-1-one?
1-(2-amino-8-fluoroquinazolin-4-yl)-4-(5-methyl-2-pyridinyl)butan-1-one has a molecular weight of 324.36 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-8-fluoroquinazolin-4-yl)-4-(5-methyl-2-pyridinyl)butan-1-one is sourced from PubChem (CID 157295338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).