2-[6-fluoro-4-(3-methylbutylamino)quinazolin-2-yl]phenol;methanamine

C20H25FN4O — CID 143244887

IUPAC2-[6-fluoro-4-(3-methylbutylamino)quinazolin-2-yl]phenol;methanamine
SMILESCC(C)CCNc1nc(-c2ccccc2O)nc2ccc(F)cc12.CN
InChIInChI=1S/C19H20FN3O.CH5N/c1-12(2)9-10-21-18-15-11-13(20)7-8-16(15)22-19(23-18)14-5-3-4-6-17(14)24;1-2/h3-8,11-12,24H,9-10H2,1-2H3,(H,21,22,23);2H2,1H3
InChIKeyCPINTKHLKIFGJJ-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.17
Rot. Bonds5

About 2-[6-fluoro-4-(3-methylbutylamino)quinazolin-2-yl]phenol;methanamine

2-[6-fluoro-4-(3-methylbutylamino)quinazolin-2-yl]phenol;methanamine (PubChem CID 143244887) has the molecular formula C20H25FN4O and a molecular weight of 356.45 g/mol. Its IUPAC name is 2-[6-fluoro-4-(3-methylbutylamino)quinazolin-2-yl]phenol;methanamine.

Molecular Properties

Compound Name2-[6-fluoro-4-(3-methylbutylamino)quinazolin-2-yl]phenol;methanamine
PubChem CID143244887
Molecular FormulaC20H25FN4O
Molecular Weight356.45 g/mol
Exact Mass356.20
IUPAC Name2-[6-fluoro-4-(3-methylbutylamino)quinazolin-2-yl]phenol;methanamine
SMILESCC(C)CCNc1nc(-c2ccccc2O)nc2ccc(F)cc12.CN
InChIInChI=1S/C19H20FN3O.CH5N/c1-12(2)9-10-21-18-15-11-13(20)7-8-16(15)22-19(23-18)14-5-3-4-6-17(14)24;1-2/h3-8,11-12,24H,9-10H2,1-2H3,(H,21,22,23);2H2,1H3
InChIKeyCPINTKHLKIFGJJ-UHFFFAOYSA-N
XLogP4.17
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-4-(3-methylbutylamino)quinazolin-2-yl]phenol;methanamine?
The IUPAC name of 2-[6-fluoro-4-(3-methylbutylamino)quinazolin-2-yl]phenol;methanamine (CID 143244887) is 2-[6-fluoro-4-(3-methylbutylamino)quinazolin-2-yl]phenol;methanamine.
What is the SMILES notation for 2-[6-fluoro-4-(3-methylbutylamino)quinazolin-2-yl]phenol;methanamine?
The canonical SMILES for 2-[6-fluoro-4-(3-methylbutylamino)quinazolin-2-yl]phenol;methanamine is CC(C)CCNc1nc(-c2ccccc2O)nc2ccc(F)cc12.CN.
What is the InChIKey of 2-[6-fluoro-4-(3-methylbutylamino)quinazolin-2-yl]phenol;methanamine?
The InChIKey is CPINTKHLKIFGJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O.CH5N/c1-12(2)9-10-21-18-15-11-13(20)7-8-16(15)22-19(23-18)14-5-3-4-6-17(14)24;1-2/h3-8,11-12,24H,9-10H2,1-2H3,(H,21,22,23);2H2,1H3.
What are the key properties of 2-[6-fluoro-4-(3-methylbutylamino)quinazolin-2-yl]phenol;methanamine?
2-[6-fluoro-4-(3-methylbutylamino)quinazolin-2-yl]phenol;methanamine has a molecular weight of 356.45 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-4-(3-methylbutylamino)quinazolin-2-yl]phenol;methanamine is sourced from PubChem (CID 143244887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).