8-fluoro-2-methyl-4-propan-2-ylquinazoline

C12H13FN2 — CID 139473937

IUPAC8-fluoro-2-methyl-4-propan-2-ylquinazoline
SMILESCc1nc(C(C)C)c2cccc(F)c2n1
InChIInChI=1S/C12H13FN2/c1-7(2)11-9-5-4-6-10(13)12(9)15-8(3)14-11/h4-7H,1-3H3
InChIKeySWWPHOAQPDVWHS-UHFFFAOYSA-N
MW204.25 g/mol
LogP3.20
Rot. Bonds1

About 8-fluoro-2-methyl-4-propan-2-ylquinazoline

8-fluoro-2-methyl-4-propan-2-ylquinazoline (PubChem CID 139473937) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 8-fluoro-2-methyl-4-propan-2-ylquinazoline.

Molecular Properties

Compound Name8-fluoro-2-methyl-4-propan-2-ylquinazoline
PubChem CID139473937
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name8-fluoro-2-methyl-4-propan-2-ylquinazoline
SMILESCc1nc(C(C)C)c2cccc(F)c2n1
InChIInChI=1S/C12H13FN2/c1-7(2)11-9-5-4-6-10(13)12(9)15-8(3)14-11/h4-7H,1-3H3
InChIKeySWWPHOAQPDVWHS-UHFFFAOYSA-N
XLogP3.20
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(8-fluoro-2-propan-2-ylquinolin-4-yl)ethanamine
CID 82448872
1-(8-methoxy-2-methylquinazolin-4-yl)ethanamine
CID 105471300
methane;2,4,8-trimethylquinazoline
CID 159057761
4-chloro-8-fluoro-2,3-dimethylquinoline
CID 60994965
(8-fluoro-4-methylquinazolin-2-yl)methanamine
CID 84771826
8-fluoro-4-methylquinoline-2-carbaldehyde
CID 82573796
N-but-3-en-2-yl-8-fluoro-2-methylquinolin-4-amine
CID 133369006
(8-fluoro-2-methylquinolin-4-yl)methanethiol
CID 82448814
8-fluoro-4-propan-2-ylquinolin-3-amine
CID 105456210
8-fluoro-2-methylquinoline-4-carbonitrile
CID 82448796
4-fluoro-2-propan-2-yl-1,3-benzoxazole
CID 59589274
8-fluoro-4-(2-methylpropyl)-3H-quinazolin-2-one
CID 105475454

Frequently Asked Questions

What is the IUPAC name of 8-fluoro-2-methyl-4-propan-2-ylquinazoline?
The IUPAC name of 8-fluoro-2-methyl-4-propan-2-ylquinazoline (CID 139473937) is 8-fluoro-2-methyl-4-propan-2-ylquinazoline.
What is the SMILES notation for 8-fluoro-2-methyl-4-propan-2-ylquinazoline?
The canonical SMILES for 8-fluoro-2-methyl-4-propan-2-ylquinazoline is Cc1nc(C(C)C)c2cccc(F)c2n1.
What is the InChIKey of 8-fluoro-2-methyl-4-propan-2-ylquinazoline?
The InChIKey is SWWPHOAQPDVWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c1-7(2)11-9-5-4-6-10(13)12(9)15-8(3)14-11/h4-7H,1-3H3.
What are the key properties of 8-fluoro-2-methyl-4-propan-2-ylquinazoline?
8-fluoro-2-methyl-4-propan-2-ylquinazoline has a molecular weight of 204.25 g/mol, XLogP of 3.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-2-methyl-4-propan-2-ylquinazoline is sourced from PubChem (CID 139473937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).